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 1eyw_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 IPHSAIGLED NASASALLGI RSWQTRALLI DATA SEQUENCE KALIDQGYMK QILVSNDWLF 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 0.000 176.275 176.300 -0.041 0.000 2.045 35 D CA 0.000 53.979 54.000 -0.035 0.000 0.868 35 D CB 0.000 40.782 40.800 -0.030 0.000 0.688 36 R N -0.338 120.133 120.500 -0.048 0.000 2.744 36 R HA 0.791 5.131 4.340 -0.000 0.000 0.279 36 R C -1.433 174.827 176.300 -0.067 0.000 0.977 36 R CA -0.594 55.472 56.100 -0.057 0.000 0.906 36 R CB 2.796 33.064 30.300 -0.053 0.000 1.197 36 R HN 0.316 nan 8.270 nan 0.000 0.463 37 I N 1.889 122.412 120.570 -0.079 0.000 2.404 37 I HA 0.222 4.392 4.170 -0.000 0.000 0.293 37 I C -0.265 175.801 176.117 -0.084 0.000 0.992 37 I CA -0.949 60.301 61.300 -0.084 0.000 1.149 37 I CB 1.720 39.667 38.000 -0.088 0.000 1.315 37 I HN 0.285 nan 8.210 nan 0.000 0.446 38 N N 4.205 122.860 118.700 -0.075 0.000 2.497 38 N HA 0.266 5.006 4.740 -0.000 0.000 0.271 38 N C -0.176 175.299 175.510 -0.058 0.000 1.142 38 N CA -0.021 52.990 53.050 -0.065 0.000 0.965 38 N CB 1.349 39.801 38.487 -0.059 0.000 1.077 38 N HN 0.683 nan 8.380 nan 0.000 0.462 39 T N -3.087 111.438 114.554 -0.048 0.000 2.910 39 T HA 0.332 4.681 4.350 -0.000 0.000 0.287 39 T C 1.291 175.987 174.700 -0.007 0.000 1.050 39 T CA -0.796 61.291 62.100 -0.022 0.000 1.011 39 T CB 0.747 69.608 68.868 -0.012 0.000 1.195 39 T HN 0.116 nan 8.240 nan 0.000 0.540 40 V N -0.920 119.002 119.914 0.013 0.000 3.141 40 V HA 0.230 4.350 4.120 -0.000 0.000 0.265 40 V C 1.731 177.834 176.094 0.015 0.000 1.126 40 V CA 0.764 63.072 62.300 0.012 0.000 1.141 40 V CB -1.216 30.617 31.823 0.017 0.000 0.743 40 V HN 0.830 nan 8.190 nan 0.000 0.492 41 R N 0.710 121.226 120.500 0.026 0.000 2.472 41 R HA 0.546 4.886 4.340 -0.000 0.000 0.279 41 R C 0.872 177.179 176.300 0.011 0.000 0.953 41 R CA 0.502 56.618 56.100 0.028 0.000 1.088 41 R CB 0.878 31.212 30.300 0.056 0.000 1.197 41 R HN 0.717 nan 8.270 nan 0.000 0.536 42 G N 1.569 110.365 108.800 -0.006 0.000 2.373 42 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.634 42 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.634 42 G C -3.086 171.790 174.900 -0.039 0.000 1.267 42 G CA -1.258 43.828 45.100 -0.022 0.000 1.008 42 G HN -0.136 nan 8.290 nan 0.000 0.497 43 P HA 0.600 nan 4.420 nan 0.000 0.278 43 P C 0.011 177.261 177.300 -0.083 0.000 1.238 43 P CA -0.239 62.823 63.100 -0.064 0.000 0.794 43 P CB 1.015 32.683 31.700 -0.053 0.000 0.955 44 I N -1.480 119.019 120.570 -0.119 0.000 3.002 44 I HA 0.657 4.827 4.170 -0.000 0.000 0.310 44 I C -0.018 176.031 176.117 -0.113 0.000 1.087 44 I CA -1.082 60.127 61.300 -0.153 0.000 1.017 44 I CB 2.311 40.115 38.000 -0.327 0.000 1.226 44 I HN 0.236 nan 8.210 nan 0.000 0.443 45 T N 0.421 114.921 114.554 -0.089 0.000 2.882 45 T HA 0.339 4.688 4.350 -0.000 0.000 0.287 45 T C 1.305 175.968 174.700 -0.062 0.000 1.014 45 T CA -0.723 61.341 62.100 -0.061 0.000 1.049 45 T CB 1.188 70.033 68.868 -0.037 0.000 1.001 45 T HN 0.502 nan 8.240 nan 0.000 0.525 46 I N 1.911 122.454 120.570 -0.045 0.000 2.194 46 I HA -0.193 3.977 4.170 -0.000 0.000 0.246 46 I C 2.841 178.947 176.117 -0.018 0.000 1.093 46 I CA 2.032 63.312 61.300 -0.034 0.000 1.355 46 I CB -2.027 35.958 38.000 -0.025 0.000 1.046 46 I HN 0.928 nan 8.210 nan 0.000 0.413 47 S N 0.068 115.761 115.700 -0.012 0.000 2.474 47 S HA -0.111 4.358 4.470 -0.000 0.000 0.235 47 S C 1.589 176.199 174.600 0.017 0.000 0.997 47 S CA 0.671 58.874 58.200 0.004 0.000 0.949 47 S CB -0.496 62.707 63.200 0.005 0.000 0.766 47 S HN 0.558 nan 8.310 nan 0.000 0.517 48 E N 1.263 121.463 120.200 -0.001 0.000 2.371 48 E HA 0.162 4.512 4.350 -0.000 0.000 0.194 48 E C 2.248 178.886 176.600 0.064 0.000 1.012 48 E CA 0.507 56.922 56.400 0.026 0.000 0.860 48 E CB -0.260 29.416 29.700 -0.039 0.000 0.811 48 E HN 0.701 nan 8.360 nan 0.000 0.502 49 A N 1.670 124.503 122.820 0.023 0.000 1.883 49 A HA -0.026 4.293 4.320 -0.000 0.000 0.217 49 A C 1.648 179.322 177.584 0.150 0.000 1.186 49 A CA 1.571 53.655 52.037 0.079 0.000 0.624 49 A CB -1.139 17.883 19.000 0.038 0.000 0.822 49 A HN 0.357 nan 8.150 nan 0.000 0.444 50 G N -1.451 107.417 108.800 0.113 0.000 2.574 50 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.282 50 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.282 50 G C 0.039 175.041 174.900 0.171 0.000 1.257 50 G CA 0.117 45.297 45.100 0.134 0.000 0.956 50 G HN 1.180 nan 8.290 nan 0.000 0.560 51 F N 2.964 122.942 119.950 0.046 0.000 2.546 51 F HA 0.485 5.011 4.527 -0.001 0.000 0.388 51 F C 0.919 176.751 175.800 0.053 0.000 1.051 51 F CA 0.634 58.659 58.000 0.041 0.000 1.130 51 F CB -0.027 38.991 39.000 0.030 0.000 1.044 51 F HN 0.464 nan 8.300 nan 0.000 0.553 52 T N 7.698 122.456 114.554 0.340 0.000 2.841 52 T HA 0.479 4.828 4.350 -0.000 0.000 0.283 52 T C -0.369 174.494 174.700 0.273 0.000 1.000 52 T CA -0.657 61.615 62.100 0.286 0.000 0.977 52 T CB 1.321 70.281 68.868 0.153 0.000 0.979 52 T HN 0.366 nan 8.240 nan 0.000 0.446 53 L N 3.396 124.774 121.223 0.257 0.000 2.255 53 L HA 0.301 4.641 4.340 -0.000 0.000 0.289 53 L C 1.787 178.747 176.870 0.150 0.000 1.046 53 L CA -0.553 54.416 54.840 0.216 0.000 0.816 53 L CB 1.117 43.295 42.059 0.200 0.000 1.197 53 L HN 0.889 nan 8.230 nan 0.000 0.427 54 T N -1.859 112.775 114.554 0.134 0.000 3.113 54 T HA -0.073 4.276 4.350 -0.000 0.000 0.256 54 T C 0.526 175.298 174.700 0.120 0.000 1.131 54 T CA 0.546 62.719 62.100 0.122 0.000 1.074 54 T CB -0.276 68.655 68.868 0.105 0.000 0.944 54 T HN 0.600 nan 8.240 nan 0.000 0.516 55 H N 0.571 119.651 119.070 0.017 0.000 3.021 55 H HA 0.448 5.004 4.556 -0.001 0.000 0.293 55 H C -1.010 174.280 175.328 -0.063 0.000 1.244 55 H CA -0.570 55.456 56.048 -0.037 0.000 1.596 55 H CB 0.573 30.330 29.762 -0.010 0.000 1.720 55 H HN 0.057 nan 8.280 nan 0.000 0.537 56 E N 2.322 122.438 120.200 -0.140 0.000 2.459 56 E HA 0.389 4.739 4.350 -0.000 0.000 0.275 56 E C -0.921 175.383 176.600 -0.493 0.000 0.987 56 E CA -0.931 55.399 56.400 -0.117 0.000 0.828 56 E CB 2.166 31.879 29.700 0.023 0.000 1.428 56 E HN 0.574 nan 8.360 nan 0.000 0.457 57 H N 0.258 119.299 119.070 -0.049 0.000 3.038 57 H HA 0.293 4.848 4.556 -0.000 0.000 0.362 57 H C 0.786 176.060 175.328 -0.090 0.000 1.167 57 H CA -0.513 55.466 56.048 -0.114 0.000 1.197 57 H CB 1.737 31.370 29.762 -0.215 0.000 1.840 57 H HN 0.271 nan 8.280 nan 0.000 0.540 58 I N 0.399 121.033 120.570 0.107 0.000 2.400 58 I HA -0.054 4.116 4.170 -0.000 0.000 0.248 58 I C 1.128 177.309 176.117 0.108 0.000 1.109 58 I CA 1.068 62.486 61.300 0.197 0.000 1.425 58 I CB 0.083 38.174 38.000 0.152 0.000 1.094 58 I HN 0.343 nan 8.210 nan 0.000 0.425 59 C N 0.468 119.763 119.300 -0.008 0.000 2.686 59 C HA 0.741 5.201 4.460 -0.000 0.000 0.318 59 C C 0.275 175.147 174.990 -0.196 0.000 1.160 59 C CA -0.578 58.375 59.018 -0.109 0.000 1.396 59 C CB 0.744 28.375 27.740 -0.181 0.000 1.924 59 C HN 0.504 nan 8.230 nan 0.000 0.471 60 G N 3.626 112.266 108.800 -0.267 0.000 2.428 60 G HA2 0.555 4.515 3.960 -0.000 0.000 0.320 60 G HA3 0.555 4.515 3.960 -0.000 0.000 0.320 60 G C -0.184 174.644 174.900 -0.120 0.000 1.098 60 G CA 0.256 45.101 45.100 -0.424 0.000 0.984 60 G HN 1.008 nan 8.290 nan 0.000 0.444 61 S N 1.251 116.846 115.700 -0.175 0.000 3.952 61 S HA 0.844 5.314 4.470 -0.000 0.000 0.293 61 S C -0.202 174.297 174.600 -0.168 0.000 1.090 61 S CA -0.328 57.807 58.200 -0.108 0.000 1.264 61 S CB 1.140 64.383 63.200 0.070 0.000 1.393 61 S HN 0.587 nan 8.310 nan 0.000 0.757 62 S N 0.357 115.989 115.700 -0.113 0.000 2.588 62 S HA 0.769 5.238 4.470 -0.000 0.000 0.275 62 S C -0.786 173.781 174.600 -0.055 0.000 1.130 62 S CA -0.225 57.923 58.200 -0.086 0.000 0.855 62 S CB 1.445 64.594 63.200 -0.085 0.000 1.116 62 S HN 1.070 nan 8.310 nan 0.000 0.472 63 A N 0.624 123.322 122.820 -0.204 0.000 2.567 63 A HA 0.465 4.785 4.320 -0.000 0.000 0.240 63 A C 1.582 179.117 177.584 -0.081 0.000 1.053 63 A CA 0.793 52.622 52.037 -0.347 0.000 0.755 63 A CB -1.250 17.212 19.000 -0.897 0.000 0.978 63 A HN 2.105 nan 8.150 nan 0.000 0.507 64 G N 1.423 110.213 108.800 -0.017 0.000 2.257 64 G HA2 -0.392 3.567 3.960 -0.000 0.000 0.267 64 G HA3 -0.392 3.567 3.960 -0.000 0.000 0.267 64 G C 0.916 175.903 174.900 0.145 0.000 0.984 64 G CA 1.140 46.283 45.100 0.072 0.000 0.626 64 G HN 1.236 nan 8.290 nan 0.000 0.540 65 F N 0.709 120.687 119.950 0.047 0.000 2.095 65 F HA 0.087 4.613 4.527 -0.001 0.000 0.298 65 F C 2.499 178.420 175.800 0.202 0.000 1.104 65 F CA 2.346 60.418 58.000 0.119 0.000 1.232 65 F CB -0.272 38.776 39.000 0.079 0.000 0.987 65 F HN 0.236 nan 8.300 nan 0.000 0.475 66 L N 0.895 122.323 121.223 0.342 0.000 2.042 66 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 66 L C 2.402 179.355 176.870 0.139 0.000 1.076 66 L CA 1.765 56.766 54.840 0.269 0.000 0.749 66 L CB -0.721 41.427 42.059 0.148 0.000 0.893 66 L HN 0.038 nan 8.230 nan 0.000 0.432 67 R N -0.523 120.034 120.500 0.095 0.000 2.115 67 R HA 0.065 4.404 4.340 -0.000 0.000 0.226 67 R C 2.098 178.423 176.300 0.042 0.000 1.100 67 R CA 1.173 57.312 56.100 0.066 0.000 0.980 67 R CB -0.844 29.491 30.300 0.058 0.000 0.875 67 R HN 0.497 nan 8.270 nan 0.000 0.445 68 A N -0.480 122.346 122.820 0.010 0.000 1.975 68 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 68 A C 0.575 178.145 177.584 -0.024 0.000 1.170 68 A CA 0.485 52.503 52.037 -0.031 0.000 0.656 68 A CB -0.024 18.945 19.000 -0.051 0.000 0.821 68 A HN 0.422 nan 8.150 nan 0.000 0.449 69 W N 0.695 121.789 121.300 -0.343 0.000 1.485 69 W HA 0.386 5.046 4.660 -0.000 0.000 0.305 69 W C -2.623 173.815 176.519 -0.137 0.000 0.879 69 W CA -2.379 54.764 57.345 -0.336 0.000 1.822 69 W CB 0.935 29.973 29.460 -0.703 0.000 1.990 69 W HN 0.129 nan 8.180 nan 0.000 0.441 70 P HA -0.194 nan 4.420 nan 0.000 0.218 70 P C 0.961 178.428 177.300 0.279 0.000 1.149 70 P CA 1.806 65.087 63.100 0.302 0.000 0.817 70 P CB 0.470 32.292 31.700 0.204 0.000 0.785 71 E N -1.033 119.301 120.200 0.222 0.000 2.333 71 E HA -0.139 4.211 4.350 -0.000 0.000 0.198 71 E C 1.590 178.147 176.600 -0.070 0.000 1.007 71 E CA 0.537 57.019 56.400 0.138 0.000 0.845 71 E CB -1.199 28.639 29.700 0.229 0.000 0.766 71 E HN 0.277 nan 8.360 nan 0.000 0.507 72 F N -0.328 119.310 119.950 -0.520 0.000 2.269 72 F HA -0.126 4.401 4.527 -0.001 0.000 0.301 72 F C 0.826 176.226 175.800 -0.667 0.000 1.082 72 F CA 1.073 58.522 58.000 -0.919 0.000 1.360 72 F CB 0.111 38.263 39.000 -1.414 0.000 1.041 72 F HN -0.037 nan 8.300 nan 0.000 0.512 73 F N -0.089 119.859 119.950 -0.003 0.000 2.668 73 F HA 0.395 4.922 4.527 -0.000 0.000 0.297 73 F C 1.523 177.304 175.800 -0.032 0.000 1.124 73 F CA 0.382 58.384 58.000 0.003 0.000 1.353 73 F CB 0.270 39.342 39.000 0.122 0.000 0.992 73 F HN 0.150 nan 8.300 nan 0.000 0.524 74 G N 0.705 109.531 108.800 0.044 0.000 4.677 74 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.215 74 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.215 74 G C 0.214 175.164 174.900 0.084 0.000 1.506 74 G CA 0.053 45.177 45.100 0.041 0.000 1.016 74 G HN 0.845 nan 8.290 nan 0.000 0.653 75 S N -1.332 114.446 115.700 0.131 0.000 2.615 75 S HA 0.665 5.135 4.470 -0.000 0.000 0.268 75 S C 0.356 175.036 174.600 0.133 0.000 1.146 75 S CA 0.622 58.897 58.200 0.125 0.000 0.818 75 S CB 1.584 64.831 63.200 0.078 0.000 1.111 75 S HN 0.936 nan 8.310 nan 0.000 0.465 76 R N 1.026 121.590 120.500 0.107 0.000 2.081 76 R HA -0.052 4.287 4.340 -0.000 0.000 0.235 76 R C 2.122 178.442 176.300 0.033 0.000 1.131 76 R CA 1.728 57.868 56.100 0.067 0.000 0.960 76 R CB -0.443 29.891 30.300 0.056 0.000 0.856 76 R HN 0.757 nan 8.270 nan 0.000 0.436 77 K N 0.037 120.458 120.400 0.034 0.000 2.032 77 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 77 K C 1.924 178.531 176.600 0.011 0.000 1.048 77 K CA 1.600 57.897 56.287 0.016 0.000 0.927 77 K CB -0.213 32.298 32.500 0.018 0.000 0.712 77 K HN 0.247 nan 8.250 nan 0.000 0.441 78 A N 1.331 124.168 122.820 0.029 0.000 1.933 78 A HA -0.158 4.161 4.320 -0.000 0.000 0.218 78 A C 2.055 179.653 177.584 0.024 0.000 1.175 78 A CA 1.419 53.474 52.037 0.029 0.000 0.628 78 A CB -0.578 18.452 19.000 0.051 0.000 0.814 78 A HN 0.420 nan 8.150 nan 0.000 0.444 79 L N -0.314 120.928 121.223 0.032 0.000 2.027 79 L HA -0.010 4.330 4.340 -0.000 0.000 0.206 79 L C 2.644 179.486 176.870 -0.046 0.000 1.074 79 L CA 2.209 57.051 54.840 0.004 0.000 0.745 79 L CB -0.800 41.219 42.059 -0.066 0.000 0.898 79 L HN 0.318 nan 8.230 nan 0.000 0.433 80 A N -0.717 122.074 122.820 -0.049 0.000 1.902 80 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 80 A C 2.158 179.680 177.584 -0.102 0.000 1.181 80 A CA 1.857 53.851 52.037 -0.071 0.000 0.623 80 A CB -0.645 18.328 19.000 -0.045 0.000 0.818 80 A HN 0.633 nan 8.150 nan 0.000 0.443 81 E N -0.514 119.642 120.200 -0.075 0.000 2.106 81 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 81 E C 2.085 178.608 176.600 -0.128 0.000 0.984 81 E CA 1.284 57.634 56.400 -0.083 0.000 0.806 81 E CB -0.152 29.520 29.700 -0.046 0.000 0.750 81 E HN 0.690 nan 8.360 nan 0.000 0.458 82 K N 1.017 121.345 120.400 -0.121 0.000 2.057 82 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 82 K C 2.156 178.479 176.600 -0.461 0.000 1.049 82 K CA 1.203 57.398 56.287 -0.153 0.000 0.931 82 K CB -0.092 32.396 32.500 -0.020 0.000 0.714 82 K HN 0.066 nan 8.250 nan 0.000 0.440 83 A N 0.652 123.117 122.820 -0.592 0.000 1.902 83 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 83 A C 2.238 179.397 177.584 -0.709 0.000 1.181 83 A CA 1.577 52.941 52.037 -1.123 0.000 0.623 83 A CB -0.628 18.078 19.000 -0.490 0.000 0.818 83 A HN 0.178 nan 8.150 nan 0.000 0.443 84 V N 0.097 119.797 119.914 -0.358 0.000 2.343 84 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 84 V C 2.656 178.629 176.094 -0.202 0.000 1.051 84 V CA 2.248 64.417 62.300 -0.218 0.000 1.036 84 V CB -0.820 30.921 31.823 -0.136 0.000 0.654 84 V HN 0.519 nan 8.190 nan 0.000 0.451 85 R N 0.025 120.401 120.500 -0.207 0.000 2.081 85 R HA -0.118 4.221 4.340 -0.000 0.000 0.235 85 R C 2.483 178.705 176.300 -0.129 0.000 1.131 85 R CA 1.547 57.565 56.100 -0.136 0.000 0.960 85 R CB -0.869 29.374 30.300 -0.096 0.000 0.856 85 R HN 0.597 nan 8.270 nan 0.000 0.436 86 G N 1.097 109.756 108.800 -0.233 0.000 2.418 86 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 86 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 86 G C 1.468 176.391 174.900 0.038 0.000 1.158 86 G CA 0.362 45.441 45.100 -0.035 0.000 0.771 86 G HN 0.121 nan 8.290 nan 0.000 0.545 87 L N -0.298 120.887 121.223 -0.064 0.000 2.083 87 L HA -0.032 4.307 4.340 -0.000 0.000 0.209 87 L C 3.181 180.034 176.870 -0.028 0.000 1.083 87 L CA 0.883 55.728 54.840 0.008 0.000 0.752 87 L CB -0.314 41.730 42.059 -0.024 0.000 0.899 87 L HN 0.168 nan 8.230 nan 0.000 0.433 88 R N -0.233 120.233 120.500 -0.057 0.000 2.092 88 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 88 R C 2.415 178.687 176.300 -0.047 0.000 1.119 88 R CA 1.065 57.132 56.100 -0.055 0.000 0.970 88 R CB -0.195 30.069 30.300 -0.060 0.000 0.864 88 R HN 0.371 nan 8.270 nan 0.000 0.440 89 R N 0.176 120.655 120.500 -0.035 0.000 2.092 89 R HA -0.021 4.319 4.340 -0.000 0.000 0.231 89 R C 2.288 178.559 176.300 -0.048 0.000 1.119 89 R CA 1.218 57.298 56.100 -0.034 0.000 0.970 89 R CB -0.256 30.035 30.300 -0.016 0.000 0.864 89 R HN 0.175 nan 8.270 nan 0.000 0.440 90 A N 1.216 124.016 122.820 -0.034 0.000 1.930 90 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 90 A C 2.133 179.647 177.584 -0.117 0.000 1.175 90 A CA 1.136 53.131 52.037 -0.069 0.000 0.627 90 A CB -0.408 18.582 19.000 -0.018 0.000 0.815 90 A HN 0.200 nan 8.150 nan 0.000 0.443 91 R N -0.346 120.102 120.500 -0.086 0.000 2.081 91 R HA -0.090 4.249 4.340 -0.000 0.000 0.235 91 R C 2.278 178.520 176.300 -0.097 0.000 1.131 91 R CA 1.332 57.374 56.100 -0.096 0.000 0.960 91 R CB -0.393 29.862 30.300 -0.075 0.000 0.856 91 R HN 0.435 nan 8.270 nan 0.000 0.436 92 A N 0.684 123.456 122.820 -0.081 0.000 1.940 92 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 92 A C 2.215 179.747 177.584 -0.087 0.000 1.176 92 A CA 1.761 53.756 52.037 -0.071 0.000 0.631 92 A CB -0.645 18.321 19.000 -0.057 0.000 0.814 92 A HN 0.518 nan 8.150 nan 0.000 0.446 93 A N -2.355 120.393 122.820 -0.120 0.000 2.206 93 A HA 0.398 4.718 4.320 -0.000 0.000 0.211 93 A C 1.778 179.235 177.584 -0.212 0.000 1.158 93 A CA 1.400 53.346 52.037 -0.152 0.000 0.761 93 A CB -0.658 18.237 19.000 -0.174 0.000 0.801 93 A HN 1.832 nan 8.150 nan 0.000 0.473 94 G N -2.257 106.414 108.800 -0.215 0.000 2.229 94 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.189 94 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.189 94 G C 0.133 174.824 174.900 -0.347 0.000 1.000 94 G CA -0.095 44.869 45.100 -0.226 0.000 0.663 94 G HN 0.650 nan 8.290 nan 0.000 0.493 95 V N 1.354 120.998 119.914 -0.451 0.000 2.521 95 V HA 0.359 4.479 4.120 -0.000 0.000 0.286 95 V C 1.555 177.598 176.094 -0.086 0.000 1.034 95 V CA 0.830 62.915 62.300 -0.357 0.000 1.045 95 V CB 1.209 32.863 31.823 -0.282 0.000 0.974 95 V HN 0.435 nan 8.190 nan 0.000 0.480 96 R N 1.877 122.409 120.500 0.054 0.000 2.191 96 R HA 0.212 4.551 4.340 -0.000 0.000 0.196 96 R C 0.157 176.508 176.300 0.086 0.000 0.991 96 R CA 0.415 56.550 56.100 0.059 0.000 1.075 96 R CB 0.545 30.928 30.300 0.138 0.000 1.040 96 R HN 0.724 nan 8.270 nan 0.000 0.526 97 T N 1.149 115.800 114.554 0.163 0.000 2.909 97 T HA 0.549 4.898 4.350 -0.000 0.000 0.299 97 T C -0.854 173.936 174.700 0.150 0.000 1.073 97 T CA -0.705 61.504 62.100 0.180 0.000 0.999 97 T CB 2.320 71.315 68.868 0.212 0.000 1.098 97 T HN 0.166 nan 8.240 nan 0.000 0.477 98 I N -1.128 119.515 120.570 0.122 0.000 2.730 98 I HA 0.865 5.035 4.170 -0.000 0.000 0.298 98 I C -1.246 174.912 176.117 0.068 0.000 1.089 98 I CA -1.242 60.119 61.300 0.102 0.000 1.041 98 I CB 1.984 40.042 38.000 0.098 0.000 1.235 98 I HN 0.312 nan 8.210 nan 0.000 0.423 99 V N 4.165 124.104 119.914 0.041 0.000 2.333 99 V HA 0.283 4.403 4.120 -0.000 0.000 0.274 99 V C -0.433 175.611 176.094 -0.083 0.000 1.028 99 V CA -0.210 62.086 62.300 -0.006 0.000 0.851 99 V CB 1.011 32.840 31.823 0.010 0.000 1.000 99 V HN 0.769 nan 8.190 nan 0.000 0.456 100 D N 4.378 124.725 120.400 -0.088 0.000 2.347 100 D HA 0.141 4.780 4.640 -0.000 0.000 0.235 100 D C 0.743 176.914 176.300 -0.216 0.000 1.149 100 D CA -0.314 53.593 54.000 -0.154 0.000 0.850 100 D CB 1.944 42.709 40.800 -0.059 0.000 1.061 100 D HN 0.437 nan 8.370 nan 0.000 0.487 101 V N 1.598 121.260 119.914 -0.419 0.000 3.415 101 V HA 0.226 4.346 4.120 -0.000 0.000 0.325 101 V C 0.464 176.442 176.094 -0.193 0.000 1.313 101 V CA -0.538 61.543 62.300 -0.365 0.000 1.228 101 V CB -0.826 30.648 31.823 -0.582 0.000 1.131 101 V HN 0.289 nan 8.190 nan 0.000 0.433 102 S N 2.655 118.306 115.700 -0.081 0.000 2.505 102 S HA 0.432 4.902 4.470 -0.000 0.000 0.276 102 S C 0.829 175.414 174.600 -0.025 0.000 1.274 102 S CA 0.233 58.427 58.200 -0.010 0.000 1.053 102 S CB 0.820 64.031 63.200 0.018 0.000 0.919 102 S HN 0.884 nan 8.310 nan 0.000 0.490 103 T N 0.504 115.049 114.554 -0.014 0.000 2.884 103 T HA 0.418 4.768 4.350 -0.000 0.000 0.277 103 T C 0.980 175.784 174.700 0.172 0.000 0.976 103 T CA -0.820 61.343 62.100 0.105 0.000 0.956 103 T CB 0.145 69.117 68.868 0.174 0.000 1.113 103 T HN 0.379 nan 8.240 nan 0.000 0.554 104 F N 2.117 122.166 119.950 0.165 0.000 2.087 104 F HA -0.209 4.318 4.527 -0.001 0.000 0.299 104 F C 2.127 178.012 175.800 0.142 0.000 1.100 104 F CA 2.490 60.606 58.000 0.193 0.000 1.226 104 F CB -0.544 38.648 39.000 0.320 0.000 0.983 104 F HN 0.743 nan 8.300 nan 0.000 0.479 105 D N 0.199 120.701 120.400 0.170 0.000 2.348 105 D HA -0.172 4.467 4.640 -0.000 0.000 0.216 105 D C 1.832 178.131 176.300 -0.002 0.000 0.970 105 D CA 1.069 55.111 54.000 0.069 0.000 0.889 105 D CB -0.852 40.134 40.800 0.309 0.000 0.912 105 D HN 0.510 nan 8.370 nan 0.000 0.524 106 I N -0.015 120.480 120.570 -0.124 0.000 3.793 106 I HA 0.154 4.323 4.170 -0.000 0.000 0.315 106 I C 1.383 177.363 176.117 -0.228 0.000 1.275 106 I CA 0.330 61.415 61.300 -0.359 0.000 1.214 106 I CB -0.034 37.619 38.000 -0.579 0.000 1.018 106 I HN 0.149 nan 8.210 nan 0.000 0.439 107 G N 2.423 111.123 108.800 -0.167 0.000 2.160 107 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.251 107 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.251 107 G C 0.532 175.396 174.900 -0.060 0.000 1.008 107 G CA -0.024 45.009 45.100 -0.112 0.000 0.724 107 G HN 0.497 nan 8.290 nan 0.000 0.514 108 R N 0.540 121.013 120.500 -0.046 0.000 2.494 108 R HA 0.147 4.487 4.340 -0.000 0.000 0.291 108 R C -0.977 175.340 176.300 0.027 0.000 0.953 108 R CA 0.750 56.849 56.100 -0.000 0.000 1.098 108 R CB 0.227 30.551 30.300 0.041 0.000 0.911 108 R HN 0.141 nan 8.270 nan 0.000 0.407 109 D N 5.341 125.753 120.400 0.020 0.000 2.438 109 D HA 0.032 4.671 4.640 -0.000 0.000 0.257 109 D C 1.308 177.626 176.300 0.030 0.000 1.148 109 D CA -0.503 53.516 54.000 0.032 0.000 0.902 109 D CB 1.393 42.204 40.800 0.019 0.000 1.062 109 D HN 0.385 nan 8.370 nan 0.000 0.518 110 V N 2.232 122.171 119.914 0.043 0.000 2.568 110 V HA -0.200 3.919 4.120 -0.000 0.000 0.253 110 V C 2.048 178.157 176.094 0.025 0.000 1.072 110 V CA 2.151 64.471 62.300 0.033 0.000 1.084 110 V CB -1.108 30.737 31.823 0.036 0.000 0.676 110 V HN 0.490 nan 8.190 nan 0.000 0.469 111 S N 0.996 116.713 115.700 0.028 0.000 2.383 111 S HA -0.165 4.304 4.470 -0.000 0.000 0.227 111 S C 1.942 176.550 174.600 0.013 0.000 1.026 111 S CA 1.592 59.805 58.200 0.021 0.000 0.981 111 S CB -0.641 62.575 63.200 0.026 0.000 0.818 111 S HN 0.579 nan 8.310 nan 0.000 0.472 112 L N 0.804 122.033 121.223 0.010 0.000 2.017 112 L HA 0.125 4.464 4.340 -0.000 0.000 0.208 112 L C 2.203 179.073 176.870 0.001 0.000 1.073 112 L CA 1.450 56.290 54.840 -0.001 0.000 0.745 112 L CB -0.863 41.188 42.059 -0.012 0.000 0.894 112 L HN 0.266 nan 8.230 nan 0.000 0.432 113 L N -0.016 121.213 121.223 0.010 0.000 2.012 113 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 113 L C 2.705 179.583 176.870 0.013 0.000 1.073 113 L CA 2.113 56.962 54.840 0.016 0.000 0.748 113 L CB -1.539 40.531 42.059 0.019 0.000 0.891 113 L HN 0.363 nan 8.230 nan 0.000 0.431 114 A N -1.191 121.637 122.820 0.012 0.000 1.902 114 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 114 A C 2.351 179.938 177.584 0.004 0.000 1.181 114 A CA 1.812 53.855 52.037 0.011 0.000 0.623 114 A CB -0.601 18.405 19.000 0.010 0.000 0.818 114 A HN 0.502 nan 8.150 nan 0.000 0.443 115 E N -0.261 119.938 120.200 -0.000 0.000 2.058 115 E HA -0.150 4.199 4.350 -0.000 0.000 0.194 115 E C 1.916 178.505 176.600 -0.017 0.000 0.997 115 E CA 1.623 58.018 56.400 -0.008 0.000 0.801 115 E CB -0.116 29.579 29.700 -0.009 0.000 0.746 115 E HN 0.331 nan 8.360 nan 0.000 0.450 116 V N 0.537 120.439 119.914 -0.020 0.000 2.427 116 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 116 V C 2.478 178.555 176.094 -0.028 0.000 1.051 116 V CA 1.741 64.020 62.300 -0.035 0.000 1.048 116 V CB -0.313 31.489 31.823 -0.036 0.000 0.666 116 V HN 0.293 nan 8.190 nan 0.000 0.456 117 S N -0.153 115.541 115.700 -0.009 0.000 2.368 117 S HA -0.212 4.258 4.470 -0.000 0.000 0.225 117 S C 2.181 176.769 174.600 -0.020 0.000 1.030 117 S CA 1.586 59.783 58.200 -0.005 0.000 0.999 117 S CB -0.182 63.031 63.200 0.020 0.000 0.844 117 S HN 0.588 nan 8.310 nan 0.000 0.459 118 R N 0.651 121.143 120.500 -0.013 0.000 2.066 118 R HA 0.050 4.390 4.340 -0.000 0.000 0.232 118 R C 2.703 178.986 176.300 -0.028 0.000 1.131 118 R CA 1.348 57.438 56.100 -0.016 0.000 0.955 118 R CB -0.639 29.655 30.300 -0.009 0.000 0.851 118 R HN 0.498 nan 8.270 nan 0.000 0.432 119 A N 0.937 123.738 122.820 -0.032 0.000 1.969 119 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 119 A C 2.176 179.730 177.584 -0.049 0.000 1.169 119 A CA 1.638 53.651 52.037 -0.039 0.000 0.635 119 A CB -0.329 18.645 19.000 -0.043 0.000 0.810 119 A HN 0.397 nan 8.150 nan 0.000 0.445 120 A N -1.843 120.943 122.820 -0.056 0.000 2.147 120 A HA 0.324 4.644 4.320 -0.000 0.000 0.211 120 A C 0.781 178.323 177.584 -0.070 0.000 1.160 120 A CA 1.077 53.076 52.037 -0.064 0.000 0.781 120 A CB -0.069 18.891 19.000 -0.067 0.000 0.842 120 A HN 0.499 nan 8.150 nan 0.000 0.475 121 D N -1.170 119.185 120.400 -0.074 0.000 2.716 121 D HA -0.121 4.519 4.640 -0.000 0.000 0.239 121 D C -0.820 175.381 176.300 -0.165 0.000 1.125 121 D CA 0.862 54.799 54.000 -0.105 0.000 0.681 121 D CB -1.594 39.153 40.800 -0.089 0.000 1.070 121 D HN 0.205 nan 8.370 nan 0.000 0.432 122 V N 2.283 122.107 119.914 -0.149 0.000 2.588 122 V HA 0.360 4.480 4.120 -0.000 0.000 0.304 122 V C 0.349 176.361 176.094 -0.136 0.000 1.042 122 V CA -0.955 61.246 62.300 -0.164 0.000 0.877 122 V CB 2.008 33.795 31.823 -0.060 0.000 0.996 122 V HN 0.216 nan 8.190 nan 0.000 0.425 123 H N 4.567 123.648 119.070 0.020 0.000 2.732 123 H HA 0.518 5.074 4.556 -0.001 0.000 0.351 123 H C -0.464 174.877 175.328 0.022 0.000 1.090 123 H CA 0.130 56.189 56.048 0.017 0.000 1.431 123 H CB 1.210 30.984 29.762 0.019 0.000 1.447 123 H HN 0.430 nan 8.280 nan 0.000 0.582 124 I N 2.816 123.473 120.570 0.145 0.000 2.478 124 I HA 0.124 4.294 4.170 -0.000 0.000 0.287 124 I C -0.320 175.827 176.117 0.050 0.000 1.042 124 I CA -0.807 60.542 61.300 0.081 0.000 1.067 124 I CB 2.161 40.195 38.000 0.056 0.000 1.233 124 I HN 0.122 nan 8.210 nan 0.000 0.431 125 V N 5.397 125.328 119.914 0.028 0.000 2.439 125 V HA 0.604 4.723 4.120 -0.000 0.000 0.282 125 V C 0.581 176.661 176.094 -0.024 0.000 1.039 125 V CA -0.382 61.914 62.300 -0.006 0.000 0.913 125 V CB 1.435 33.247 31.823 -0.018 0.000 0.983 125 V HN 0.839 nan 8.190 nan 0.000 0.460 126 A N 4.209 127.011 122.820 -0.030 0.000 2.282 126 A HA 0.951 5.271 4.320 -0.000 0.000 0.319 126 A C 0.115 177.665 177.584 -0.057 0.000 1.121 126 A CA -0.039 51.977 52.037 -0.035 0.000 0.836 126 A CB 1.196 20.186 19.000 -0.017 0.000 1.146 126 A HN 1.259 nan 8.150 nan 0.000 0.494 127 A N -0.194 122.591 122.820 -0.059 0.000 2.386 127 A HA 0.854 5.174 4.320 -0.000 0.000 0.308 127 A C 0.035 177.574 177.584 -0.074 0.000 1.128 127 A CA 0.004 51.992 52.037 -0.082 0.000 0.789 127 A CB 1.380 20.324 19.000 -0.093 0.000 1.325 127 A HN 1.197 nan 8.150 nan 0.000 0.437 128 T N -1.549 112.925 114.554 -0.134 0.000 2.762 128 T HA 0.787 5.137 4.350 -0.000 0.000 0.272 128 T C 0.338 174.860 174.700 -0.297 0.000 0.982 128 T CA 0.912 62.901 62.100 -0.186 0.000 1.013 128 T CB 1.099 69.819 68.868 -0.246 0.000 1.309 128 T HN 2.705 nan 8.240 nan 0.000 0.572 129 G N -0.217 108.234 108.800 -0.582 0.000 2.483 129 G HA2 0.109 4.069 3.960 -0.000 0.000 0.521 129 G HA3 0.109 4.069 3.960 -0.000 0.000 0.521 129 G C -1.844 173.056 174.900 0.000 0.000 1.278 129 G CA -0.379 44.288 45.100 -0.722 0.000 0.965 129 G HN 0.879 nan 8.290 nan 0.000 0.504 130 L N -1.204 120.124 121.223 0.175 0.000 2.445 130 L HA 0.656 4.996 4.340 -0.000 0.000 0.262 130 L C 0.043 177.137 176.870 0.374 0.000 0.974 130 L CA -0.757 54.317 54.840 0.390 0.000 0.822 130 L CB 2.290 44.659 42.059 0.517 0.000 1.339 130 L HN 0.862 nan 8.230 nan 0.000 0.409 131 W N 2.368 123.750 121.300 0.137 0.000 1.941 131 W HA 0.347 5.007 4.660 -0.000 0.000 0.629 131 W C 0.653 177.221 176.519 0.082 0.000 1.517 131 W CA -0.138 57.218 57.345 0.019 0.000 1.502 131 W CB 0.306 29.664 29.460 -0.171 0.000 3.266 131 W HN 0.322 nan 8.180 nan 0.000 0.765 132 F N 0.880 120.490 119.950 -0.566 0.000 2.668 132 F HA 0.321 4.848 4.527 -0.000 0.000 0.297 132 F C 0.104 175.708 175.800 -0.328 0.000 1.124 132 F CA -0.519 57.179 58.000 -0.502 0.000 1.353 132 F CB -0.518 38.089 39.000 -0.655 0.000 0.992 132 F HN 0.036 nan 8.300 nan 0.000 0.524 133 D N 2.008 122.377 120.400 -0.052 0.000 2.945 133 D HA 0.253 4.893 4.640 -0.000 0.000 0.366 133 D C -2.826 173.570 176.300 0.159 0.000 1.352 133 D CA -2.055 51.991 54.000 0.076 0.000 0.810 133 D CB 0.627 41.499 40.800 0.119 0.000 1.170 133 D HN 0.025 nan 8.370 nan 0.000 0.461 134 P HA 0.257 nan 4.420 nan 0.000 0.271 134 P C -2.610 174.744 177.300 0.090 0.000 1.216 134 P CA -1.124 62.094 63.100 0.197 0.000 0.771 134 P CB 0.763 32.575 31.700 0.187 0.000 0.864 135 P HA 0.231 nan 4.420 nan 0.000 0.278 135 P C 1.335 178.628 177.300 -0.013 0.000 1.266 135 P CA -0.546 62.593 63.100 0.067 0.000 0.807 135 P CB 1.070 32.847 31.700 0.128 0.000 1.094 136 L N 0.105 121.310 121.223 -0.031 0.000 2.043 136 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 136 L C 2.401 179.224 176.870 -0.078 0.000 1.075 136 L CA 1.941 56.739 54.840 -0.071 0.000 0.752 136 L CB -0.930 41.103 42.059 -0.043 0.000 0.891 136 L HN 0.381 nan 8.230 nan 0.000 0.432 137 S N -1.012 114.664 115.700 -0.041 0.000 2.440 137 S HA -0.137 4.333 4.470 -0.000 0.000 0.238 137 S C 1.837 176.378 174.600 -0.099 0.000 1.010 137 S CA 1.124 59.288 58.200 -0.060 0.000 0.972 137 S CB -0.041 63.132 63.200 -0.044 0.000 0.774 137 S HN 0.319 nan 8.310 nan 0.000 0.501 138 M N 0.171 119.715 119.600 -0.093 0.000 2.556 138 M HA 0.218 4.697 4.480 -0.000 0.000 0.264 138 M C 2.024 178.249 176.300 -0.126 0.000 1.163 138 M CA 0.759 56.014 55.300 -0.075 0.000 1.186 138 M CB -0.827 31.787 32.600 0.023 0.000 1.321 138 M HN 0.114 nan 8.290 nan 0.000 0.485 139 R N 0.522 120.788 120.500 -0.391 0.000 2.159 139 R HA -0.023 4.316 4.340 -0.000 0.000 0.237 139 R C 1.818 177.852 176.300 -0.444 0.000 1.131 139 R CA 1.003 56.573 56.100 -0.884 0.000 0.982 139 R CB -0.231 29.697 30.300 -0.620 0.000 0.868 139 R HN 0.307 nan 8.270 nan 0.000 0.453 140 L N 0.632 121.745 121.223 -0.183 0.000 2.591 140 L HA 0.090 4.430 4.340 -0.000 0.000 0.228 140 L C 0.321 177.196 176.870 0.008 0.000 1.133 140 L CA -0.067 54.732 54.840 -0.069 0.000 0.880 140 L CB -0.088 41.935 42.059 -0.061 0.000 1.033 140 L HN 0.025 nan 8.230 nan 0.000 0.450 141 R N 0.891 121.428 120.500 0.061 0.000 2.531 141 R HA 0.242 4.581 4.340 -0.000 0.000 0.273 141 R C 0.510 176.880 176.300 0.117 0.000 1.070 141 R CA -0.074 56.070 56.100 0.073 0.000 1.112 141 R CB 1.055 31.380 30.300 0.041 0.000 1.049 141 R HN 0.075 nan 8.270 nan 0.000 0.508 142 S N -0.268 115.461 115.700 0.047 0.000 2.645 142 S HA 0.045 4.515 4.470 -0.000 0.000 0.266 142 S C 1.278 175.876 174.600 -0.002 0.000 1.258 142 S CA -0.718 57.501 58.200 0.032 0.000 0.990 142 S CB 1.287 64.494 63.200 0.011 0.000 0.967 142 S HN 0.426 nan 8.310 nan 0.000 0.556 143 V N 1.157 121.063 119.914 -0.014 0.000 2.469 143 V HA -0.155 3.965 4.120 -0.000 0.000 0.251 143 V C 2.227 178.286 176.094 -0.058 0.000 1.064 143 V CA 2.492 64.764 62.300 -0.047 0.000 1.066 143 V CB -1.168 30.639 31.823 -0.028 0.000 0.667 143 V HN 0.946 nan 8.190 nan 0.000 0.461 144 E N 0.178 120.357 120.200 -0.035 0.000 2.072 144 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 144 E C 2.166 178.734 176.600 -0.053 0.000 0.985 144 E CA 1.764 58.142 56.400 -0.036 0.000 0.801 144 E CB -0.220 29.469 29.700 -0.019 0.000 0.750 144 E HN 0.743 nan 8.360 nan 0.000 0.452 145 E N 0.317 120.487 120.200 -0.050 0.000 2.072 145 E HA -0.134 4.215 4.350 -0.000 0.000 0.191 145 E C 2.106 178.646 176.600 -0.100 0.000 0.985 145 E CA 0.719 57.085 56.400 -0.056 0.000 0.801 145 E CB -0.124 29.549 29.700 -0.044 0.000 0.750 145 E HN 0.209 nan 8.360 nan 0.000 0.452 146 L N 0.821 121.947 121.223 -0.163 0.000 2.083 146 L HA -0.188 4.151 4.340 -0.000 0.000 0.209 146 L C 2.539 179.061 176.870 -0.580 0.000 1.083 146 L CA 1.253 55.867 54.840 -0.376 0.000 0.752 146 L CB -0.679 41.132 42.059 -0.414 0.000 0.899 146 L HN 0.196 nan 8.230 nan 0.000 0.433 147 T N -1.316 113.048 114.554 -0.317 0.000 2.720 147 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 147 T C 1.935 176.575 174.700 -0.099 0.000 1.037 147 T CA 1.039 63.029 62.100 -0.184 0.000 1.144 147 T CB -0.134 68.698 68.868 -0.059 0.000 0.864 147 T HN 0.256 nan 8.240 nan 0.000 0.444 148 Q N 0.264 120.021 119.800 -0.071 0.000 2.050 148 Q HA -0.012 4.327 4.340 -0.000 0.000 0.202 148 Q C 2.018 178.031 176.000 0.021 0.000 0.980 148 Q CA 1.316 57.109 55.803 -0.017 0.000 0.840 148 Q CB -0.781 27.950 28.738 -0.012 0.000 0.898 148 Q HN 0.646 nan 8.270 nan 0.000 0.424 149 F N 0.242 120.105 119.950 -0.144 0.000 2.134 149 F HA -0.244 4.283 4.527 -0.000 0.000 0.299 149 F C 1.693 177.559 175.800 0.110 0.000 1.097 149 F CA 1.050 59.006 58.000 -0.074 0.000 1.264 149 F CB -0.062 38.855 39.000 -0.139 0.000 1.001 149 F HN -0.037 nan 8.300 nan 0.000 0.479 150 F N 0.693 120.552 119.950 -0.152 0.000 2.146 150 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 150 F C 2.242 177.929 175.800 -0.189 0.000 1.096 150 F CA 0.821 58.677 58.000 -0.239 0.000 1.275 150 F CB -1.510 37.452 39.000 -0.063 0.000 1.008 150 F HN 0.011 nan 8.300 nan 0.000 0.480 151 L N -0.401 120.867 121.223 0.076 0.000 2.083 151 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 151 L C 2.764 179.637 176.870 0.005 0.000 1.083 151 L CA 1.249 56.108 54.840 0.033 0.000 0.752 151 L CB -0.563 41.512 42.059 0.026 0.000 0.899 151 L HN 0.084 nan 8.230 nan 0.000 0.433 152 R N 0.726 121.211 120.500 -0.026 0.000 2.080 152 R HA -0.209 4.131 4.340 -0.000 0.000 0.236 152 R C 2.016 178.324 176.300 0.014 0.000 1.137 152 R CA 1.968 58.065 56.100 -0.006 0.000 0.943 152 R CB -0.210 30.070 30.300 -0.032 0.000 0.846 152 R HN 0.443 nan 8.270 nan 0.000 0.431 153 E N -0.052 120.071 120.200 -0.129 0.000 2.153 153 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 153 E C 2.084 178.652 176.600 -0.053 0.000 0.988 153 E CA 1.287 57.620 56.400 -0.112 0.000 0.811 153 E CB -0.048 29.500 29.700 -0.254 0.000 0.746 153 E HN 0.478 nan 8.360 nan 0.000 0.466 154 I N 0.632 121.174 120.570 -0.047 0.000 2.400 154 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 154 I C 2.313 178.423 176.117 -0.012 0.000 1.109 154 I CA 1.006 62.284 61.300 -0.037 0.000 1.425 154 I CB 0.030 38.008 38.000 -0.037 0.000 1.094 154 I HN 0.006 nan 8.210 nan 0.000 0.425 155 Q N -0.897 118.914 119.800 0.020 0.000 2.226 155 Q HA -0.087 4.252 4.340 -0.000 0.000 0.199 155 Q C 1.860 177.908 176.000 0.080 0.000 0.945 155 Q CA 1.045 56.872 55.803 0.040 0.000 0.861 155 Q CB 0.030 28.797 28.738 0.048 0.000 0.953 155 Q HN 0.484 nan 8.270 nan 0.000 0.490 156 Y N 0.174 120.459 120.300 -0.025 0.000 2.343 156 Y HA 0.265 4.814 4.550 -0.000 0.000 0.294 156 Y C 0.642 176.535 175.900 -0.013 0.000 1.122 156 Y CA 1.286 59.378 58.100 -0.014 0.000 1.173 156 Y CB 0.784 39.241 38.460 -0.006 0.000 1.077 156 Y HN 0.076 nan 8.280 nan 0.000 0.542 157 G N 0.252 109.092 108.800 0.068 0.000 2.334 157 G HA2 0.050 4.010 3.960 -0.000 0.000 0.566 157 G HA3 0.050 4.010 3.960 -0.000 0.000 0.566 157 G C -1.741 173.209 174.900 0.084 0.000 1.413 157 G CA -0.606 44.482 45.100 -0.020 0.000 0.993 157 G HN 0.169 nan 8.290 nan 0.000 0.642 158 I N 2.108 122.708 120.570 0.049 0.000 2.371 158 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 158 I C 1.089 177.280 176.117 0.123 0.000 1.028 158 I CA 0.159 61.512 61.300 0.088 0.000 1.345 158 I CB 0.872 38.912 38.000 0.066 0.000 1.407 158 I HN 0.963 nan 8.210 nan 0.000 0.501 159 E N 3.689 123.997 120.200 0.179 0.000 3.333 159 E HA -0.316 4.033 4.350 -0.000 0.000 0.342 159 E C -0.094 176.614 176.600 0.179 0.000 1.501 159 E CA 1.655 58.165 56.400 0.184 0.000 1.770 159 E CB -0.501 29.295 29.700 0.159 0.000 1.817 159 E HN 0.922 nan 8.360 nan 0.000 0.485 160 D N 0.282 120.760 120.400 0.130 0.000 2.525 160 D HA 0.053 4.693 4.640 -0.000 0.000 0.229 160 D C 0.962 177.284 176.300 0.037 0.000 1.202 160 D CA 0.848 54.910 54.000 0.103 0.000 0.828 160 D CB -0.149 40.708 40.800 0.095 0.000 1.008 160 D HN 0.417 nan 8.370 nan 0.000 0.493 161 T N -4.357 110.213 114.554 0.027 0.000 3.067 161 T HA 0.288 4.638 4.350 -0.000 0.000 0.257 161 T C 1.851 176.525 174.700 -0.043 0.000 1.105 161 T CA 0.650 62.750 62.100 0.000 0.000 1.104 161 T CB -0.166 68.712 68.868 0.017 0.000 0.925 161 T HN 0.330 nan 8.240 nan 0.000 0.498 162 G N 1.446 110.191 108.800 -0.092 0.000 2.184 162 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.264 162 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.264 162 G C 0.079 174.923 174.900 -0.094 0.000 0.975 162 G CA 0.220 45.233 45.100 -0.144 0.000 0.642 162 G HN 0.665 nan 8.290 nan 0.000 0.536 163 I N 1.862 122.402 120.570 -0.050 0.000 2.396 163 I HA 0.278 4.447 4.170 -0.000 0.000 0.289 163 I C 1.035 177.132 176.117 -0.034 0.000 1.056 163 I CA -0.371 60.909 61.300 -0.033 0.000 1.365 163 I CB 0.579 38.572 38.000 -0.012 0.000 1.407 163 I HN 0.053 nan 8.210 nan 0.000 0.509 164 R N 5.285 125.760 120.500 -0.041 0.000 2.368 164 R HA 0.643 4.982 4.340 -0.000 0.000 0.302 164 R C -0.202 176.071 176.300 -0.044 0.000 1.002 164 R CA -0.774 55.301 56.100 -0.041 0.000 0.929 164 R CB 1.454 31.727 30.300 -0.046 0.000 1.073 164 R HN 0.679 nan 8.270 nan 0.000 0.464 165 A N 1.147 123.937 122.820 -0.051 0.000 2.407 165 A HA 0.374 4.694 4.320 -0.000 0.000 0.248 165 A C 1.031 178.568 177.584 -0.079 0.000 1.082 165 A CA 0.047 52.044 52.037 -0.066 0.000 0.785 165 A CB 0.468 19.417 19.000 -0.086 0.000 1.020 165 A HN 0.921 nan 8.150 nan 0.000 0.489 166 G N 0.182 108.930 108.800 -0.087 0.000 3.192 166 G HA2 0.458 4.418 3.960 -0.000 0.000 0.239 166 G HA3 0.458 4.418 3.960 -0.000 0.000 0.239 166 G C -0.011 174.803 174.900 -0.143 0.000 1.084 166 G CA 0.355 45.392 45.100 -0.105 0.000 0.784 166 G HN 0.717 nan 8.290 nan 0.000 0.540 167 I N -0.361 120.124 120.570 -0.142 0.000 2.984 167 I HA 0.521 4.691 4.170 -0.000 0.000 0.303 167 I C -1.430 174.590 176.117 -0.162 0.000 1.381 167 I CA -1.128 60.070 61.300 -0.169 0.000 0.988 167 I CB 2.431 40.343 38.000 -0.145 0.000 1.307 167 I HN -0.117 nan 8.210 nan 0.000 0.460 171 A N 0.961 123.953 122.820 0.287 0.000 2.612 171 A HA 1.070 5.390 4.320 -0.000 0.000 0.293 171 A C -0.393 177.323 177.584 0.219 0.000 1.075 171 A CA -0.060 52.172 52.037 0.325 0.000 0.680 171 A CB 1.828 21.037 19.000 0.348 0.000 1.279 171 A HN 2.678 nan 8.150 nan 0.000 0.411 172 T N -1.731 112.954 114.554 0.219 0.000 2.883 172 T HA 0.748 5.098 4.350 -0.000 0.000 0.301 172 T C -0.503 174.257 174.700 0.100 0.000 1.158 172 T CA 0.024 62.186 62.100 0.103 0.000 1.007 172 T CB 1.625 70.526 68.868 0.054 0.000 1.186 172 T HN 1.680 nan 8.240 nan 0.000 0.499 173 T N -1.140 113.388 114.554 -0.044 0.000 3.542 173 T HA 0.696 5.046 4.350 -0.000 0.000 0.276 173 T C 0.751 175.404 174.700 -0.078 0.000 1.412 173 T CA 0.013 62.058 62.100 -0.093 0.000 1.664 173 T CB -0.195 68.456 68.868 -0.362 0.000 0.863 173 T HN 2.065 nan 8.240 nan 0.000 0.661 174 G N 1.666 110.444 108.800 -0.036 0.000 2.472 174 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.205 174 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.205 174 G C -0.742 174.134 174.900 -0.040 0.000 1.270 174 G CA -0.918 44.154 45.100 -0.046 0.000 0.974 174 G HN 0.659 nan 8.290 nan 0.000 0.542 175 K N 0.965 121.340 120.400 -0.041 0.000 2.491 175 K HA 0.406 4.725 4.320 -0.000 0.000 0.279 175 K C 1.021 177.604 176.600 -0.028 0.000 1.026 175 K CA 0.474 56.740 56.287 -0.034 0.000 1.070 175 K CB 0.121 32.603 32.500 -0.030 0.000 0.887 175 K HN 1.309 nan 8.250 nan 0.000 0.481 176 A N 3.735 126.539 122.820 -0.027 0.000 2.498 176 A HA 0.083 4.402 4.320 -0.000 0.000 0.239 176 A C 0.514 178.098 177.584 -0.000 0.000 1.068 176 A CA 0.023 52.051 52.037 -0.016 0.000 0.766 176 A CB 0.026 19.006 19.000 -0.034 0.000 1.003 176 A HN 0.835 nan 8.150 nan 0.000 0.497 177 T N 0.496 115.065 114.554 0.025 0.000 2.828 177 T HA 0.404 4.754 4.350 -0.000 0.000 0.290 177 T C -1.858 172.880 174.700 0.063 0.000 1.019 177 T CA -1.247 60.884 62.100 0.051 0.000 1.031 177 T CB 0.586 69.510 68.868 0.093 0.000 1.001 177 T HN 0.344 nan 8.240 nan 0.000 0.531 178 P HA -0.027 nan 4.420 nan 0.000 0.216 178 P C 1.195 178.564 177.300 0.115 0.000 1.150 178 P CA 0.689 63.834 63.100 0.074 0.000 0.837 178 P CB -0.141 31.603 31.700 0.074 0.000 0.786 179 F N 0.729 120.690 119.950 0.019 0.000 2.163 179 F HA -0.117 4.409 4.527 -0.001 0.000 0.297 179 F C 2.189 178.020 175.800 0.052 0.000 1.094 179 F CA 1.496 59.516 58.000 0.033 0.000 1.290 179 F CB -0.804 38.218 39.000 0.037 0.000 1.017 179 F HN -0.145 nan 8.300 nan 0.000 0.483 180 Q N 0.121 119.942 119.800 0.035 0.000 2.181 180 Q HA -0.217 4.122 4.340 -0.000 0.000 0.205 180 Q C 2.041 177.972 176.000 -0.115 0.000 0.980 180 Q CA 1.905 57.671 55.803 -0.061 0.000 0.862 180 Q CB -0.266 28.499 28.738 0.044 0.000 0.905 180 Q HN 0.575 nan 8.270 nan 0.000 0.429 181 E N 0.381 120.533 120.200 -0.081 0.000 2.110 181 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 181 E C 2.002 178.542 176.600 -0.101 0.000 0.988 181 E CA 0.762 57.113 56.400 -0.081 0.000 0.804 181 E CB -0.048 29.624 29.700 -0.047 0.000 0.745 181 E HN 0.367 nan 8.360 nan 0.000 0.458 182 L N 0.566 121.693 121.223 -0.159 0.000 2.046 182 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 182 L C 2.518 179.279 176.870 -0.182 0.000 1.077 182 L CA 0.749 55.488 54.840 -0.169 0.000 0.747 182 L CB -0.589 41.348 42.059 -0.204 0.000 0.896 182 L HN 0.054 nan 8.230 nan 0.000 0.432 183 V N 0.008 119.734 119.914 -0.313 0.000 2.287 183 V HA -0.298 3.821 4.120 -0.000 0.000 0.248 183 V C 2.472 178.645 176.094 0.131 0.000 1.053 183 V CA 1.603 63.846 62.300 -0.095 0.000 1.027 183 V CB -0.435 31.307 31.823 -0.135 0.000 0.646 183 V HN 0.252 nan 8.190 nan 0.000 0.447 184 L N -0.369 120.894 121.223 0.066 0.000 2.083 184 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 184 L C 2.360 179.368 176.870 0.230 0.000 1.083 184 L CA 1.821 56.754 54.840 0.154 0.000 0.752 184 L CB -0.871 41.105 42.059 -0.138 0.000 0.899 184 L HN 0.286 nan 8.230 nan 0.000 0.433 185 K N -0.946 119.520 120.400 0.110 0.000 2.025 185 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 185 K C 2.162 178.850 176.600 0.148 0.000 1.049 185 K CA 1.277 57.636 56.287 0.119 0.000 0.933 185 K CB -0.342 32.186 32.500 0.047 0.000 0.714 185 K HN 0.300 nan 8.250 nan 0.000 0.438 186 A N 1.548 124.447 122.820 0.130 0.000 1.933 186 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 186 A C 2.357 180.139 177.584 0.331 0.000 1.175 186 A CA 1.878 53.996 52.037 0.135 0.000 0.628 186 A CB -0.666 18.306 19.000 -0.046 0.000 0.814 186 A HN 0.343 nan 8.150 nan 0.000 0.444 187 A N -0.135 122.947 122.820 0.436 0.000 1.902 187 A HA 0.176 4.496 4.320 -0.000 0.000 0.217 187 A C 2.514 180.212 177.584 0.190 0.000 1.181 187 A CA 2.044 54.284 52.037 0.338 0.000 0.623 187 A CB -1.023 18.127 19.000 0.250 0.000 0.818 187 A HN 1.043 nan 8.150 nan 0.000 0.443 188 A N -0.070 122.886 122.820 0.227 0.000 1.902 188 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 188 A C 2.243 179.886 177.584 0.099 0.000 1.181 188 A CA 1.610 53.735 52.037 0.146 0.000 0.623 188 A CB -0.474 18.682 19.000 0.260 0.000 0.818 188 A HN 0.561 nan 8.150 nan 0.000 0.443 189 R N -0.497 120.074 120.500 0.117 0.000 2.073 189 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 189 R C 2.476 178.819 176.300 0.071 0.000 1.134 189 R CA 1.290 57.438 56.100 0.080 0.000 0.952 189 R CB -0.503 29.837 30.300 0.068 0.000 0.850 189 R HN 0.504 nan 8.270 nan 0.000 0.433 190 A N 0.311 123.198 122.820 0.112 0.000 1.933 190 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 190 A C 2.196 179.800 177.584 0.034 0.000 1.175 190 A CA 1.783 53.877 52.037 0.096 0.000 0.628 190 A CB -0.587 18.526 19.000 0.187 0.000 0.814 190 A HN 0.312 nan 8.150 nan 0.000 0.444 191 S N -0.466 115.242 115.700 0.014 0.000 2.356 191 S HA -0.102 4.367 4.470 -0.000 0.000 0.223 191 S C 1.945 176.523 174.600 -0.035 0.000 1.032 191 S CA 1.409 59.584 58.200 -0.042 0.000 1.005 191 S CB -0.481 62.668 63.200 -0.085 0.000 0.867 191 S HN 0.502 nan 8.310 nan 0.000 0.449 192 L N 0.892 122.108 121.223 -0.011 0.000 2.042 192 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 192 L C 2.875 179.739 176.870 -0.009 0.000 1.076 192 L CA 1.414 56.249 54.840 -0.008 0.000 0.749 192 L CB -0.610 41.455 42.059 0.010 0.000 0.893 192 L HN 0.436 nan 8.230 nan 0.000 0.432 193 A N -0.601 122.219 122.820 0.000 0.000 1.968 193 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 193 A C 2.290 179.867 177.584 -0.011 0.000 1.169 193 A CA 1.882 53.919 52.037 -0.001 0.000 0.638 193 A CB -0.556 18.450 19.000 0.009 0.000 0.812 193 A HN 0.515 nan 8.150 nan 0.000 0.446 194 T N -5.860 108.682 114.554 -0.020 0.000 3.015 194 T HA 0.422 4.772 4.350 -0.000 0.000 0.250 194 T C 1.504 176.173 174.700 -0.051 0.000 1.057 194 T CA 1.121 63.202 62.100 -0.032 0.000 1.066 194 T CB 0.391 69.239 68.868 -0.034 0.000 0.959 194 T HN 1.612 nan 8.240 nan 0.000 0.488 195 G N 1.000 109.763 108.800 -0.061 0.000 2.199 195 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.254 195 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.254 195 G C 0.143 174.970 174.900 -0.121 0.000 0.982 195 G CA -0.010 45.042 45.100 -0.080 0.000 0.632 195 G HN 0.701 nan 8.290 nan 0.000 0.529 196 V N 3.886 123.724 119.914 -0.127 0.000 2.655 196 V HA 0.357 4.477 4.120 -0.000 0.000 0.300 196 V C -0.754 175.198 176.094 -0.237 0.000 1.044 196 V CA -0.515 61.678 62.300 -0.178 0.000 1.095 196 V CB 1.184 32.920 31.823 -0.144 0.000 0.952 196 V HN 0.298 nan 8.190 nan 0.000 0.485 197 P HA 0.262 nan 4.420 nan 0.000 0.274 197 P C -0.959 176.159 177.300 -0.303 0.000 1.256 197 P CA -0.203 62.613 63.100 -0.473 0.000 0.795 197 P CB 0.919 31.896 31.700 -1.205 0.000 1.038 198 V N 0.119 119.925 119.914 -0.181 0.000 2.555 198 V HA 0.535 4.654 4.120 -0.000 0.000 0.302 198 V C 0.345 176.501 176.094 0.104 0.000 1.038 198 V CA -0.228 62.011 62.300 -0.103 0.000 0.887 198 V CB 1.679 33.339 31.823 -0.271 0.000 0.991 198 V HN 0.640 nan 8.190 nan 0.000 0.434 199 T N 2.781 117.407 114.554 0.119 0.000 2.893 199 T HA 0.728 5.077 4.350 -0.000 0.000 0.293 199 T C -0.385 174.410 174.700 0.159 0.000 1.027 199 T CA -0.096 62.114 62.100 0.184 0.000 0.988 199 T CB 1.593 70.585 68.868 0.207 0.000 1.043 199 T HN 1.060 nan 8.240 nan 0.000 0.461 200 T N 1.047 115.694 114.554 0.155 0.000 2.907 200 T HA 0.596 4.945 4.350 -0.000 0.000 0.290 200 T C -0.915 173.858 174.700 0.121 0.000 1.066 200 T CA -0.747 61.468 62.100 0.192 0.000 1.012 200 T CB 1.450 70.456 68.868 0.229 0.000 1.184 200 T HN 0.753 nan 8.240 nan 0.000 0.522 201 H N 0.318 119.468 119.070 0.133 0.000 2.457 201 H HA 0.670 5.226 4.556 -0.001 0.000 0.335 201 H C -0.124 175.302 175.328 0.163 0.000 1.115 201 H CA -0.128 56.000 56.048 0.133 0.000 1.219 201 H CB 1.330 31.388 29.762 0.493 0.000 1.471 201 H HN 1.062 nan 8.280 nan 0.000 0.491 202 T N 1.601 116.128 114.554 -0.044 0.000 2.883 202 T HA 0.657 5.006 4.350 -0.000 0.000 0.296 202 T C -0.658 174.062 174.700 0.034 0.000 1.117 202 T CA -0.818 61.333 62.100 0.085 0.000 1.006 202 T CB 1.409 70.307 68.868 0.049 0.000 1.191 202 T HN 0.712 nan 8.240 nan 0.000 0.508 203 A N 0.871 123.729 122.820 0.063 0.000 2.736 203 A HA 0.739 5.059 4.320 -0.000 0.000 0.335 203 A C 1.584 179.155 177.584 -0.022 0.000 1.446 203 A CA -0.202 51.850 52.037 0.025 0.000 1.028 203 A CB -0.705 18.297 19.000 0.005 0.000 1.154 203 A HN 1.358 nan 8.150 nan 0.000 0.507 204 A N 1.819 124.633 122.820 -0.009 0.000 1.917 204 A HA -0.169 4.150 4.320 -0.000 0.000 0.219 204 A C 2.470 179.936 177.584 -0.197 0.000 1.182 204 A CA 2.434 54.455 52.037 -0.026 0.000 0.633 204 A CB -0.825 18.216 19.000 0.068 0.000 0.819 204 A HN 1.550 nan 8.150 nan 0.000 0.448 205 S N -0.580 115.046 115.700 -0.123 0.000 2.442 205 S HA -0.201 4.268 4.470 -0.000 0.000 0.236 205 S C 1.519 176.004 174.600 -0.192 0.000 1.007 205 S CA 1.417 59.532 58.200 -0.143 0.000 0.965 205 S CB -0.433 62.725 63.200 -0.070 0.000 0.773 205 S HN 0.732 nan 8.310 nan 0.000 0.504 206 Q N 0.300 119.990 119.800 -0.183 0.000 2.280 206 Q HA 0.321 4.661 4.340 -0.000 0.000 0.201 206 Q C -0.221 175.634 176.000 -0.242 0.000 0.890 206 Q CA -0.304 55.397 55.803 -0.170 0.000 0.947 206 Q CB 0.120 28.797 28.738 -0.101 0.000 1.081 206 Q HN 0.492 nan 8.270 nan 0.000 0.502 207 R N 0.520 120.747 120.500 -0.456 0.000 3.651 207 R HA -0.192 4.148 4.340 -0.000 0.000 0.292 207 R C -0.293 175.925 176.300 -0.137 0.000 1.161 207 R CA 0.531 56.243 56.100 -0.646 0.000 0.787 207 R CB -1.632 28.365 30.300 -0.505 0.000 1.249 207 R HN 0.306 nan 8.270 nan 0.000 0.476 208 D N -0.055 120.307 120.400 -0.063 0.000 2.228 208 D HA -0.129 4.511 4.640 -0.000 0.000 0.203 208 D C 2.027 178.353 176.300 0.044 0.000 0.988 208 D CA 1.731 55.732 54.000 0.003 0.000 0.864 208 D CB -0.337 40.478 40.800 0.024 0.000 0.928 208 D HN 0.613 nan 8.370 nan 0.000 0.469 209 G N 0.772 109.670 108.800 0.162 0.000 2.469 209 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.220 209 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.220 209 G C 1.485 176.365 174.900 -0.035 0.000 1.136 209 G CA 0.858 46.000 45.100 0.069 0.000 0.759 209 G HN 0.336 nan 8.290 nan 0.000 0.562 210 E N -0.323 119.925 120.200 0.080 0.000 2.077 210 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 210 E C 2.443 179.013 176.600 -0.050 0.000 0.989 210 E CA 1.158 57.563 56.400 0.008 0.000 0.800 210 E CB -0.174 29.569 29.700 0.071 0.000 0.746 210 E HN 0.630 nan 8.360 nan 0.000 0.452 211 Q N 0.836 120.605 119.800 -0.052 0.000 2.079 211 Q HA -0.214 4.126 4.340 -0.000 0.000 0.200 211 Q C 2.150 178.050 176.000 -0.167 0.000 0.974 211 Q CA 1.323 57.075 55.803 -0.084 0.000 0.840 211 Q CB 0.137 28.833 28.738 -0.069 0.000 0.898 211 Q HN 0.303 nan 8.270 nan 0.000 0.430 212 Q N -0.093 119.582 119.800 -0.208 0.000 2.050 212 Q HA -0.173 4.166 4.340 -0.000 0.000 0.202 212 Q C 2.173 177.883 176.000 -0.483 0.000 0.980 212 Q CA 1.392 56.934 55.803 -0.436 0.000 0.840 212 Q CB -0.274 28.313 28.738 -0.251 0.000 0.898 212 Q HN 0.487 nan 8.270 nan 0.000 0.424 213 A N 1.401 124.095 122.820 -0.211 0.000 1.892 213 A HA -0.219 4.100 4.320 -0.000 0.000 0.218 213 A C 2.353 179.974 177.584 0.062 0.000 1.188 213 A CA 1.887 53.899 52.037 -0.042 0.000 0.631 213 A CB -0.965 17.857 19.000 -0.296 0.000 0.822 213 A HN 0.427 nan 8.150 nan 0.000 0.447 214 A N -0.276 122.525 122.820 -0.031 0.000 1.908 214 A HA -0.099 4.220 4.320 -0.000 0.000 0.218 214 A C 2.140 179.716 177.584 -0.013 0.000 1.181 214 A CA 1.610 53.648 52.037 0.001 0.000 0.627 214 A CB -0.603 18.386 19.000 -0.019 0.000 0.818 214 A HN 0.527 nan 8.150 nan 0.000 0.445 215 I N -1.733 118.762 120.570 -0.125 0.000 2.202 215 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 215 I C 2.321 178.441 176.117 0.006 0.000 1.091 215 I CA 1.308 62.533 61.300 -0.125 0.000 1.368 215 I CB -0.447 37.397 38.000 -0.261 0.000 1.058 215 I HN 0.366 nan 8.210 nan 0.000 0.410 216 F N 1.143 121.138 119.950 0.074 0.000 2.126 216 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 216 F C 2.571 178.426 175.800 0.093 0.000 1.096 216 F CA 1.128 59.186 58.000 0.097 0.000 1.255 216 F CB -0.337 38.753 39.000 0.151 0.000 0.997 216 F HN 0.069 nan 8.300 nan 0.000 0.479 217 E N 0.060 120.442 120.200 0.303 0.000 2.110 217 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 217 E C 2.230 178.906 176.600 0.127 0.000 0.988 217 E CA 1.435 57.952 56.400 0.195 0.000 0.804 217 E CB -0.195 29.612 29.700 0.178 0.000 0.745 217 E HN 0.340 nan 8.360 nan 0.000 0.458 218 S N 0.757 116.521 115.700 0.107 0.000 2.447 218 S HA -0.115 4.354 4.470 -0.000 0.000 0.233 218 S C 1.580 176.226 174.600 0.076 0.000 1.006 218 S CA 0.780 59.024 58.200 0.072 0.000 0.957 218 S CB 0.029 63.257 63.200 0.047 0.000 0.773 218 S HN 0.123 nan 8.310 nan 0.000 0.507 219 E N 0.659 120.924 120.200 0.108 0.000 2.479 219 E HA 0.213 4.563 4.350 -0.000 0.000 0.193 219 E C 1.315 177.966 176.600 0.084 0.000 1.049 219 E CA 0.552 57.012 56.400 0.099 0.000 0.870 219 E CB 0.166 29.945 29.700 0.132 0.000 0.944 219 E HN 0.728 nan 8.360 nan 0.000 0.492 220 G N 1.794 110.646 108.800 0.086 0.000 2.132 220 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.234 220 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.234 220 G C 0.004 174.936 174.900 0.053 0.000 0.989 220 G CA 0.316 45.452 45.100 0.061 0.000 0.676 220 G HN 0.233 nan 8.290 nan 0.000 0.522 221 L N 1.752 123.022 121.223 0.079 0.000 2.397 221 L HA 0.734 5.074 4.340 -0.000 0.000 0.271 221 L C 0.915 177.793 176.870 0.013 0.000 1.148 221 L CA 0.249 55.111 54.840 0.036 0.000 0.825 221 L CB 1.481 43.557 42.059 0.027 0.000 1.117 221 L HN 0.371 nan 8.230 nan 0.000 0.456 222 S N 5.468 121.145 115.700 -0.038 0.000 2.528 222 S HA 0.359 4.828 4.470 -0.000 0.000 0.277 222 S C -1.620 172.884 174.600 -0.160 0.000 1.297 222 S CA -1.039 57.113 58.200 -0.080 0.000 1.052 222 S CB 0.852 64.009 63.200 -0.071 0.000 0.917 222 S HN 0.631 nan 8.310 nan 0.000 0.492 223 P HA -0.126 nan 4.420 nan 0.000 0.217 223 P C 1.477 178.522 177.300 -0.425 0.000 1.148 223 P CA 1.354 63.996 63.100 -0.765 0.000 0.828 223 P CB -0.181 30.740 31.700 -1.299 0.000 0.783 224 S N -1.600 113.962 115.700 -0.230 0.000 2.547 224 S HA -0.058 4.411 4.470 -0.000 0.000 0.235 224 S C 1.546 176.164 174.600 0.030 0.000 0.980 224 S CA 0.615 58.765 58.200 -0.084 0.000 0.941 224 S CB -0.632 62.533 63.200 -0.058 0.000 0.763 224 S HN -0.005 nan 8.310 nan 0.000 0.532 225 R N 0.673 121.169 120.500 -0.006 0.000 2.393 225 R HA 0.452 4.791 4.340 -0.000 0.000 0.244 225 R C -0.518 175.852 176.300 0.116 0.000 0.920 225 R CA -0.126 55.984 56.100 0.017 0.000 1.076 225 R CB -0.013 30.233 30.300 -0.090 0.000 1.119 225 R HN 0.374 nan 8.270 nan 0.000 0.524 226 V N 0.274 120.290 119.914 0.170 0.000 2.656 226 V HA 0.314 4.434 4.120 -0.000 0.000 0.307 226 V C -0.455 175.776 176.094 0.229 0.000 1.051 226 V CA -1.317 61.106 62.300 0.205 0.000 0.893 226 V CB 2.582 34.509 31.823 0.173 0.000 0.999 226 V HN 0.134 nan 8.190 nan 0.000 0.426 227 C N 6.840 126.238 119.300 0.163 0.000 2.298 227 C HA 0.604 5.064 4.460 -0.000 0.000 0.323 227 C C -0.228 174.773 174.990 0.018 0.000 1.284 227 C CA -0.606 58.372 59.018 -0.067 0.000 1.577 227 C CB -0.449 27.073 27.740 -0.362 0.000 2.249 227 C HN 0.716 nan 8.230 nan 0.000 0.497 228 I N 6.881 127.440 120.570 -0.019 0.000 2.281 228 I HA 0.292 4.461 4.170 -0.000 0.000 0.293 228 I C 1.216 177.272 176.117 -0.102 0.000 1.085 228 I CA 0.489 61.766 61.300 -0.037 0.000 1.257 228 I CB 0.071 38.014 38.000 -0.095 0.000 1.430 228 I HN 0.908 nan 8.210 nan 0.000 0.489 229 G N 4.467 113.177 108.800 -0.150 0.000 2.580 229 G HA2 0.250 4.210 3.960 -0.000 0.000 0.278 229 G HA3 0.250 4.210 3.960 -0.000 0.000 0.278 229 G C 0.341 175.000 174.900 -0.402 0.000 1.212 229 G CA -0.129 44.769 45.100 -0.338 0.000 0.939 229 G HN 0.779 nan 8.290 nan 0.000 0.513 230 H N -1.104 117.719 119.070 -0.412 0.000 2.861 230 H HA -0.159 4.396 4.556 -0.001 0.000 0.289 230 H C 1.974 177.147 175.328 -0.260 0.000 1.176 230 H CA 0.460 56.167 56.048 -0.568 0.000 1.146 230 H CB -1.808 27.579 29.762 -0.625 0.000 1.330 230 H HN 0.342 nan 8.280 nan 0.000 0.379 231 S N 0.121 115.779 115.700 -0.070 0.000 2.447 231 S HA -0.100 4.370 4.470 -0.000 0.000 0.233 231 S C 1.693 176.315 174.600 0.037 0.000 1.006 231 S CA 1.039 59.242 58.200 0.006 0.000 0.957 231 S CB 0.062 63.239 63.200 -0.039 0.000 0.773 231 S HN 0.708 nan 8.310 nan 0.000 0.507 232 D N 0.670 121.081 120.400 0.017 0.000 2.349 232 D HA -0.042 4.598 4.640 -0.000 0.000 0.224 232 D C 0.299 176.643 176.300 0.074 0.000 1.029 232 D CA 0.303 54.337 54.000 0.056 0.000 0.879 232 D CB -0.253 40.592 40.800 0.074 0.000 0.906 232 D HN 0.137 nan 8.370 nan 0.000 0.528 233 D N 0.249 120.688 120.400 0.066 0.000 2.363 233 D HA -0.021 4.619 4.640 -0.000 0.000 0.220 233 D C 0.425 176.760 176.300 0.058 0.000 0.994 233 D CA 0.691 54.738 54.000 0.078 0.000 0.890 233 D CB 0.304 41.150 40.800 0.077 0.000 0.906 233 D HN 0.194 nan 8.370 nan 0.000 0.530 234 T N -0.900 113.694 114.554 0.067 0.000 2.908 234 T HA 0.190 4.539 4.350 -0.000 0.000 0.290 234 T C -0.084 174.657 174.700 0.067 0.000 1.034 234 T CA -0.788 61.346 62.100 0.057 0.000 1.010 234 T CB 1.553 70.459 68.868 0.063 0.000 1.068 234 T HN -0.289 nan 8.240 nan 0.000 0.481 235 D N 1.478 121.908 120.400 0.050 0.000 2.349 235 D HA 0.093 4.732 4.640 -0.000 0.000 0.214 235 D C -0.111 176.224 176.300 0.058 0.000 1.063 235 D CA 0.064 54.094 54.000 0.050 0.000 0.847 235 D CB 0.352 41.172 40.800 0.035 0.000 0.933 235 D HN 0.520 nan 8.370 nan 0.000 0.513 236 D N 1.498 121.942 120.400 0.073 0.000 2.470 236 D HA -0.020 4.620 4.640 -0.000 0.000 0.226 236 D C 1.261 177.638 176.300 0.128 0.000 1.196 236 D CA -0.303 53.751 54.000 0.090 0.000 0.979 236 D CB 0.477 41.321 40.800 0.074 0.000 1.059 236 D HN -0.098 nan 8.370 nan 0.000 0.515 237 L N 3.321 124.595 121.223 0.085 0.000 2.191 237 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 237 L C 2.332 179.237 176.870 0.058 0.000 1.103 237 L CA 1.730 56.609 54.840 0.066 0.000 0.769 237 L CB -0.682 41.411 42.059 0.057 0.000 0.908 237 L HN 0.469 nan 8.230 nan 0.000 0.438 238 S N -1.596 114.149 115.700 0.075 0.000 2.382 238 S HA -0.315 4.155 4.470 -0.000 0.000 0.228 238 S C 2.173 176.822 174.600 0.081 0.000 1.027 238 S CA 1.375 59.615 58.200 0.068 0.000 0.991 238 S CB -1.198 62.042 63.200 0.067 0.000 0.823 238 S HN 0.619 nan 8.310 nan 0.000 0.469 239 Y N 2.376 122.665 120.300 -0.019 0.000 2.200 239 Y HA 0.012 4.562 4.550 -0.000 0.000 0.290 239 Y C 1.988 177.856 175.900 -0.052 0.000 1.137 239 Y CA 1.531 59.611 58.100 -0.033 0.000 1.163 239 Y CB -0.333 38.107 38.460 -0.032 0.000 0.988 239 Y HN 0.216 nan 8.280 nan 0.000 0.518 240 L N 0.112 121.197 121.223 -0.230 0.000 2.027 240 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 240 L C 2.716 179.404 176.870 -0.304 0.000 1.074 240 L CA 1.888 56.521 54.840 -0.345 0.000 0.745 240 L CB -1.292 40.668 42.059 -0.164 0.000 0.898 240 L HN 0.376 nan 8.230 nan 0.000 0.433 241 T N -2.247 112.192 114.554 -0.191 0.000 2.867 241 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 241 T C 1.957 176.505 174.700 -0.254 0.000 1.057 241 T CA 0.882 62.833 62.100 -0.248 0.000 1.136 241 T CB -0.351 68.510 68.868 -0.012 0.000 0.874 241 T HN 0.307 nan 8.240 nan 0.000 0.466 242 A N 1.740 124.468 122.820 -0.153 0.000 1.877 242 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 242 A C 2.425 179.936 177.584 -0.122 0.000 1.186 242 A CA 1.352 53.332 52.037 -0.096 0.000 0.620 242 A CB -0.892 18.083 19.000 -0.042 0.000 0.822 242 A HN 0.532 nan 8.150 nan 0.000 0.443 243 L N -0.899 120.197 121.223 -0.212 0.000 2.056 243 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 243 L C 3.099 179.927 176.870 -0.071 0.000 1.078 243 L CA 0.958 55.712 54.840 -0.144 0.000 0.749 243 L CB -0.509 41.354 42.059 -0.327 0.000 0.901 243 L HN 0.427 nan 8.230 nan 0.000 0.433 244 A N 0.115 122.755 122.820 -0.299 0.000 1.933 244 A HA -0.194 4.125 4.320 -0.000 0.000 0.218 244 A C 2.505 179.879 177.584 -0.351 0.000 1.175 244 A CA 1.709 53.480 52.037 -0.442 0.000 0.628 244 A CB -0.727 17.697 19.000 -0.960 0.000 0.814 244 A HN 0.402 nan 8.150 nan 0.000 0.444 245 A N -0.272 122.365 122.820 -0.306 0.000 2.019 245 A HA -0.152 4.167 4.320 -0.000 0.000 0.219 245 A C 2.114 179.717 177.584 0.032 0.000 1.164 245 A CA 1.481 53.515 52.037 -0.005 0.000 0.644 245 A CB -0.397 18.636 19.000 0.054 0.000 0.805 245 A HN 0.563 nan 8.150 nan 0.000 0.449 246 R N -1.636 118.881 120.500 0.028 0.000 2.313 246 R HA 0.218 4.558 4.340 -0.000 0.000 0.199 246 R C 1.315 177.567 176.300 -0.081 0.000 0.958 246 R CA 0.567 56.695 56.100 0.047 0.000 1.047 246 R CB -0.014 30.400 30.300 0.190 0.000 0.955 246 R HN 0.669 nan 8.270 nan 0.000 0.481 247 G N -0.544 108.205 108.800 -0.085 0.000 2.195 247 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.224 247 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.224 247 G C -0.128 174.615 174.900 -0.262 0.000 0.990 247 G CA -0.526 44.471 45.100 -0.172 0.000 0.639 247 G HN 0.242 nan 8.290 nan 0.000 0.514 248 Y N -0.038 120.225 120.300 -0.063 0.000 2.379 248 Y HA 0.557 5.107 4.550 -0.001 0.000 0.337 248 Y C 1.138 176.970 175.900 -0.114 0.000 1.238 248 Y CA -0.416 57.640 58.100 -0.072 0.000 1.405 248 Y CB 0.543 38.955 38.460 -0.080 0.000 1.310 248 Y HN 0.140 nan 8.280 nan 0.000 0.569 249 L N 3.490 124.736 121.223 0.038 0.000 2.334 249 L HA 0.275 4.615 4.340 -0.000 0.000 0.277 249 L C -0.630 176.178 176.870 -0.103 0.000 1.075 249 L CA -0.126 54.649 54.840 -0.110 0.000 0.804 249 L CB 0.620 42.490 42.059 -0.315 0.000 1.174 249 L HN 0.383 nan 8.230 nan 0.000 0.438 250 I N 2.348 122.840 120.570 -0.129 0.000 2.330 250 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 250 I C 0.644 176.683 176.117 -0.130 0.000 1.001 250 I CA -0.343 60.880 61.300 -0.129 0.000 1.193 250 I CB 0.987 38.911 38.000 -0.128 0.000 1.345 250 I HN 0.605 nan 8.210 nan 0.000 0.461 251 G N 7.353 116.072 108.800 -0.135 0.000 2.350 251 G HA2 0.552 4.512 3.960 -0.000 0.000 0.306 251 G HA3 0.552 4.512 3.960 -0.000 0.000 0.306 251 G C -0.246 174.594 174.900 -0.099 0.000 1.094 251 G CA -0.419 44.606 45.100 -0.126 0.000 0.953 251 G HN 0.549 nan 8.290 nan 0.000 0.420 252 L N 3.232 124.423 121.223 -0.052 0.000 2.407 252 L HA 0.280 4.620 4.340 -0.000 0.000 0.261 252 L C -0.002 176.875 176.870 0.012 0.000 1.108 252 L CA -0.639 54.195 54.840 -0.010 0.000 0.995 252 L CB 0.848 42.925 42.059 0.031 0.000 1.349 252 L HN 0.669 nan 8.230 nan 0.000 0.423 253 D N -2.361 118.012 120.400 -0.045 0.000 2.479 253 D HA -0.005 4.635 4.640 -0.000 0.000 0.218 253 D C 0.872 177.185 176.300 0.022 0.000 1.177 253 D CA -0.020 53.968 54.000 -0.020 0.000 0.830 253 D CB 0.060 40.793 40.800 -0.113 0.000 1.014 253 D HN 0.430 nan 8.370 nan 0.000 0.503 254 H N 0.345 119.341 119.070 -0.122 0.000 2.512 254 H HA 0.204 4.759 4.556 -0.001 0.000 0.276 254 H C 1.209 176.525 175.328 -0.020 0.000 1.126 254 H CA -0.493 55.354 56.048 -0.335 0.000 1.060 254 H CB 0.758 30.273 29.762 -0.413 0.000 1.646 254 H HN -0.026 nan 8.280 nan 0.000 0.571 255 I N 1.835 122.530 120.570 0.208 0.000 2.113 255 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 255 I C -0.694 175.525 176.117 0.171 0.000 1.057 255 I CA 1.461 62.914 61.300 0.255 0.000 1.314 255 I CB -2.257 35.955 38.000 0.353 0.000 1.022 255 I HN 0.295 nan 8.210 nan 0.000 0.408 256 P HA -0.050 nan 4.420 nan 0.000 0.249 256 P C 0.235 177.465 177.300 -0.118 0.000 1.229 256 P CA 0.553 63.281 63.100 -0.620 0.000 0.788 256 P CB -0.540 30.334 31.700 -1.377 0.000 1.072 257 H N 0.603 119.635 119.070 -0.064 0.000 3.160 257 H HA 0.326 4.882 4.556 -0.001 0.000 0.257 257 H C 0.061 175.380 175.328 -0.014 0.000 1.140 257 H CA 0.235 56.252 56.048 -0.051 0.000 1.492 257 H CB 0.298 29.926 29.762 -0.223 0.000 1.529 257 H HN 0.043 nan 8.280 nan 0.000 0.490 258 S N 2.099 117.831 115.700 0.054 0.000 2.563 258 S HA 0.396 4.866 4.470 -0.000 0.000 0.279 258 S C -0.053 174.573 174.600 0.042 0.000 1.155 258 S CA -0.361 57.878 58.200 0.065 0.000 0.928 258 S CB 1.105 64.368 63.200 0.104 0.000 1.107 258 S HN 0.666 nan 8.310 nan 0.000 0.462 259 A N 4.857 127.700 122.820 0.039 0.000 2.415 259 A HA 0.442 4.762 4.320 -0.000 0.000 0.248 259 A C 0.487 178.093 177.584 0.037 0.000 1.299 259 A CA -0.272 51.786 52.037 0.034 0.000 0.899 259 A CB -0.502 18.517 19.000 0.031 0.000 0.997 259 A HN 0.802 nan 8.150 nan 0.000 0.506 260 I N 0.379 120.975 120.570 0.044 0.000 2.668 260 I HA 0.196 4.366 4.170 -0.000 0.000 0.285 260 I C 1.537 177.678 176.117 0.041 0.000 1.168 260 I CA 1.577 62.901 61.300 0.040 0.000 1.424 260 I CB 0.476 38.501 38.000 0.043 0.000 1.377 260 I HN 0.504 nan 8.210 nan 0.000 0.560 261 G N 5.377 114.197 108.800 0.033 0.000 2.194 261 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.236 261 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.236 261 G C 0.363 175.280 174.900 0.028 0.000 0.987 261 G CA -0.107 45.012 45.100 0.031 0.000 0.635 261 G HN 0.547 nan 8.290 nan 0.000 0.520 262 L N 0.135 121.375 121.223 0.028 0.000 3.289 262 L HA 0.379 4.718 4.340 -0.000 0.000 0.291 262 L C 1.479 178.362 176.870 0.023 0.000 1.279 262 L CA -0.184 54.671 54.840 0.025 0.000 1.025 262 L CB 0.667 42.742 42.059 0.027 0.000 1.413 262 L HN 0.035 nan 8.230 nan 0.000 0.593 263 E N 0.300 120.513 120.200 0.021 0.000 2.331 263 E HA -0.216 4.133 4.350 -0.000 0.000 0.199 263 E C 1.240 177.849 176.600 0.016 0.000 1.008 263 E CA 0.981 57.392 56.400 0.019 0.000 0.843 263 E CB -0.034 29.677 29.700 0.017 0.000 0.761 263 E HN 0.336 nan 8.360 nan 0.000 0.507 264 D N 0.314 120.722 120.400 0.014 0.000 2.149 264 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 264 D C 0.407 176.712 176.300 0.009 0.000 0.990 264 D CA 0.858 54.864 54.000 0.010 0.000 0.839 264 D CB -0.044 40.762 40.800 0.010 0.000 0.948 264 D HN -0.004 nan 8.370 nan 0.000 0.460 265 N N -0.103 118.605 118.700 0.013 0.000 2.500 265 N HA 0.202 4.942 4.740 -0.000 0.000 0.236 265 N C 0.483 176.005 175.510 0.020 0.000 1.022 265 N CA -0.066 52.992 53.050 0.013 0.000 0.935 265 N CB 1.188 39.685 38.487 0.017 0.000 1.147 265 N HN -0.019 nan 8.380 nan 0.000 0.512 266 A N 2.936 125.763 122.820 0.013 0.000 1.908 266 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 266 A C 2.090 179.699 177.584 0.042 0.000 1.181 266 A CA 2.134 54.183 52.037 0.020 0.000 0.627 266 A CB -0.593 18.411 19.000 0.007 0.000 0.818 266 A HN 0.724 nan 8.150 nan 0.000 0.445 267 S N 0.529 116.247 115.700 0.031 0.000 2.356 267 S HA 0.000 4.470 4.470 -0.000 0.000 0.223 267 S C 2.163 176.884 174.600 0.202 0.000 1.032 267 S CA 1.274 59.519 58.200 0.076 0.000 1.005 267 S CB -0.812 62.340 63.200 -0.079 0.000 0.867 267 S HN 0.878 nan 8.310 nan 0.000 0.449 268 A N 1.905 124.800 122.820 0.124 0.000 1.902 268 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 268 A C 2.431 180.060 177.584 0.074 0.000 1.181 268 A CA 1.787 53.888 52.037 0.106 0.000 0.623 268 A CB -1.148 17.887 19.000 0.058 0.000 0.818 268 A HN 0.493 nan 8.150 nan 0.000 0.443 269 S N -0.082 115.655 115.700 0.063 0.000 2.356 269 S HA -0.068 4.402 4.470 -0.000 0.000 0.223 269 S C 2.319 176.952 174.600 0.055 0.000 1.032 269 S CA 1.249 59.478 58.200 0.048 0.000 1.005 269 S CB -0.487 62.735 63.200 0.038 0.000 0.867 269 S HN 0.803 nan 8.310 nan 0.000 0.449 270 A N 1.049 123.918 122.820 0.081 0.000 1.933 270 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 270 A C 2.126 179.750 177.584 0.067 0.000 1.175 270 A CA 1.342 53.429 52.037 0.085 0.000 0.628 270 A CB -0.605 18.466 19.000 0.119 0.000 0.814 270 A HN 0.417 nan 8.150 nan 0.000 0.444 271 L N -0.545 120.712 121.223 0.057 0.000 2.023 271 L HA 0.023 4.363 4.340 -0.000 0.000 0.205 271 L C 2.114 178.963 176.870 -0.035 0.000 1.073 271 L CA 1.742 56.546 54.840 -0.059 0.000 0.745 271 L CB -0.334 41.585 42.059 -0.234 0.000 0.900 271 L HN 0.372 nan 8.230 nan 0.000 0.435 272 L N -0.791 120.423 121.223 -0.015 0.000 2.375 272 L HA 0.371 4.710 4.340 -0.000 0.000 0.215 272 L C 1.168 178.054 176.870 0.027 0.000 1.108 272 L CA 0.213 55.051 54.840 -0.004 0.000 0.830 272 L CB -0.946 41.099 42.059 -0.023 0.000 0.959 272 L HN 0.455 nan 8.230 nan 0.000 0.457 273 G N 1.492 110.309 108.800 0.029 0.000 2.795 273 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.664 273 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.664 273 G C -0.013 174.908 174.900 0.036 0.000 1.381 273 G CA -0.092 45.028 45.100 0.035 0.000 0.853 273 G HN 0.375 nan 8.290 nan 0.000 0.545 274 I N -2.696 117.894 120.570 0.033 0.000 3.936 274 I HA 0.525 4.695 4.170 -0.000 0.000 0.330 274 I C 0.741 176.875 176.117 0.028 0.000 1.509 274 I CA -0.681 60.637 61.300 0.030 0.000 1.126 274 I CB 0.233 38.247 38.000 0.023 0.000 1.115 274 I HN 0.341 nan 8.210 nan 0.000 0.424 275 R N 1.865 122.387 120.500 0.036 0.000 2.404 275 R HA 0.463 4.802 4.340 -0.000 0.000 0.291 275 R C 0.532 176.854 176.300 0.036 0.000 1.025 275 R CA -0.276 55.842 56.100 0.030 0.000 0.991 275 R CB 1.435 31.757 30.300 0.037 0.000 1.053 275 R HN 0.497 nan 8.270 nan 0.000 0.479 276 S N 2.787 118.486 115.700 -0.001 0.000 2.593 276 S HA 0.020 4.490 4.470 -0.000 0.000 0.269 276 S C 1.353 175.951 174.600 -0.004 0.000 1.334 276 S CA -0.865 57.316 58.200 -0.032 0.000 1.015 276 S CB 0.505 63.613 63.200 -0.152 0.000 0.912 276 S HN 0.916 nan 8.310 nan 0.000 0.541 277 W N 1.644 122.941 121.300 -0.004 0.000 2.392 277 W HA -0.138 4.521 4.660 -0.000 0.000 0.279 277 W C 1.041 177.532 176.519 -0.047 0.000 1.225 277 W CA 1.008 58.363 57.345 0.016 0.000 1.233 277 W CB -1.030 28.485 29.460 0.092 0.000 1.122 277 W HN 0.674 nan 8.180 nan 0.000 0.561 278 Q N 1.252 120.501 119.800 -0.918 0.000 2.079 278 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 278 Q C 2.397 178.210 176.000 -0.313 0.000 0.974 278 Q CA 3.245 58.430 55.803 -1.029 0.000 0.840 278 Q CB -0.906 27.176 28.738 -1.092 0.000 0.898 278 Q HN 0.129 nan 8.270 nan 0.000 0.430 279 T N 0.433 114.878 114.554 -0.182 0.000 2.708 279 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 279 T C 1.672 176.393 174.700 0.034 0.000 1.037 279 T CA 1.410 63.487 62.100 -0.038 0.000 1.146 279 T CB -0.136 68.718 68.868 -0.024 0.000 0.865 279 T HN 0.235 nan 8.240 nan 0.000 0.435 280 R N 1.016 121.555 120.500 0.065 0.000 2.073 280 R HA 0.057 4.396 4.340 -0.000 0.000 0.234 280 R C 2.843 179.237 176.300 0.158 0.000 1.134 280 R CA 1.281 57.454 56.100 0.123 0.000 0.952 280 R CB -0.516 29.884 30.300 0.167 0.000 0.850 280 R HN 0.344 nan 8.270 nan 0.000 0.433 281 A N 1.270 124.210 122.820 0.201 0.000 1.940 281 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 281 A C 2.145 179.891 177.584 0.270 0.000 1.176 281 A CA 1.199 53.404 52.037 0.280 0.000 0.631 281 A CB -0.542 18.683 19.000 0.375 0.000 0.814 281 A HN 0.197 nan 8.150 nan 0.000 0.446 282 L N -0.667 120.697 121.223 0.234 0.000 2.265 282 L HA -0.134 4.206 4.340 -0.000 0.000 0.215 282 L C 2.246 179.192 176.870 0.127 0.000 1.117 282 L CA 0.581 55.537 54.840 0.193 0.000 0.782 282 L CB -0.405 41.748 42.059 0.157 0.000 0.914 282 L HN 0.382 nan 8.230 nan 0.000 0.441 283 L N -0.685 120.607 121.223 0.115 0.000 2.201 283 L HA -0.183 4.156 4.340 -0.000 0.000 0.212 283 L C 2.342 179.265 176.870 0.088 0.000 1.105 283 L CA 0.999 55.892 54.840 0.089 0.000 0.775 283 L CB -0.322 41.784 42.059 0.079 0.000 0.913 283 L HN 0.237 nan 8.230 nan 0.000 0.440 284 I N 0.097 120.732 120.570 0.109 0.000 2.202 284 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 284 I C 2.689 178.855 176.117 0.082 0.000 1.091 284 I CA 1.370 62.727 61.300 0.095 0.000 1.368 284 I CB -0.279 37.791 38.000 0.116 0.000 1.058 284 I HN 0.226 nan 8.210 nan 0.000 0.410 285 K N 1.643 122.096 120.400 0.089 0.000 2.057 285 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 285 K C 2.210 178.840 176.600 0.051 0.000 1.050 285 K CA 1.431 57.752 56.287 0.058 0.000 0.935 285 K CB -0.141 32.386 32.500 0.044 0.000 0.715 285 K HN 0.257 nan 8.250 nan 0.000 0.439 286 A N 1.433 124.290 122.820 0.062 0.000 1.908 286 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 286 A C 2.132 179.762 177.584 0.077 0.000 1.181 286 A CA 1.466 53.539 52.037 0.060 0.000 0.627 286 A CB -0.654 18.383 19.000 0.062 0.000 0.818 286 A HN 0.364 nan 8.150 nan 0.000 0.445 287 L N -0.813 120.464 121.223 0.090 0.000 2.093 287 L HA -0.131 4.208 4.340 -0.000 0.000 0.208 287 L C 2.450 179.399 176.870 0.131 0.000 1.085 287 L CA 0.958 55.881 54.840 0.139 0.000 0.755 287 L CB -0.378 41.748 42.059 0.111 0.000 0.904 287 L HN 0.395 nan 8.230 nan 0.000 0.435 288 I N -0.271 120.342 120.570 0.072 0.000 2.202 288 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 288 I C 2.005 178.123 176.117 0.001 0.000 1.091 288 I CA 1.156 62.475 61.300 0.033 0.000 1.368 288 I CB -0.347 37.666 38.000 0.021 0.000 1.058 288 I HN 0.237 nan 8.210 nan 0.000 0.410 289 D N 0.515 120.922 120.400 0.011 0.000 2.182 289 D HA -0.183 4.457 4.640 -0.000 0.000 0.201 289 D C 2.061 178.346 176.300 -0.024 0.000 0.986 289 D CA 1.035 55.031 54.000 -0.006 0.000 0.847 289 D CB -0.221 40.582 40.800 0.006 0.000 0.942 289 D HN 0.384 nan 8.370 nan 0.000 0.467 290 Q N -0.727 119.070 119.800 -0.005 0.000 2.444 290 Q HA 0.149 4.489 4.340 -0.000 0.000 0.206 290 Q C 1.185 177.007 176.000 -0.297 0.000 0.948 290 Q CA 0.705 56.485 55.803 -0.039 0.000 0.946 290 Q CB 0.840 29.669 28.738 0.151 0.000 1.027 290 Q HN 0.356 nan 8.270 nan 0.000 0.513 291 G N 0.664 109.301 108.800 -0.271 0.000 2.131 291 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.223 291 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.223 291 G C -0.058 174.544 174.900 -0.497 0.000 0.990 291 G CA -0.138 44.731 45.100 -0.384 0.000 0.671 291 G HN 0.359 nan 8.290 nan 0.000 0.521 292 Y N 0.296 120.587 120.300 -0.015 0.000 2.756 292 Y HA 0.358 4.908 4.550 -0.001 0.000 0.300 292 Y C 2.407 178.292 175.900 -0.025 0.000 1.113 292 Y CA 0.260 58.348 58.100 -0.021 0.000 1.291 292 Y CB -0.319 38.128 38.460 -0.022 0.000 1.175 292 Y HN 0.487 nan 8.280 nan 0.000 0.534 293 M N -0.686 118.949 119.600 0.059 0.000 2.195 293 M HA -0.246 4.233 4.480 -0.000 0.000 0.260 293 M C 1.137 177.452 176.300 0.024 0.000 1.066 293 M CA 1.991 57.310 55.300 0.032 0.000 1.089 293 M CB -0.256 32.343 32.600 -0.002 0.000 1.377 293 M HN 0.077 nan 8.290 nan 0.000 0.411 294 K N 0.207 120.625 120.400 0.031 0.000 2.486 294 K HA 0.007 4.326 4.320 -0.000 0.000 0.194 294 K C 1.355 177.964 176.600 0.014 0.000 1.033 294 K CA 0.606 56.902 56.287 0.016 0.000 1.004 294 K CB 0.094 32.602 32.500 0.014 0.000 0.798 294 K HN 0.624 nan 8.250 nan 0.000 0.495 295 Q N 0.020 119.843 119.800 0.037 0.000 2.247 295 Q HA 0.211 4.551 4.340 -0.000 0.000 0.211 295 Q C 0.241 176.210 176.000 -0.051 0.000 0.861 295 Q CA 0.164 55.964 55.803 -0.006 0.000 0.949 295 Q CB 0.781 29.528 28.738 0.015 0.000 1.115 295 Q HN 0.273 nan 8.270 nan 0.000 0.507 296 I N 1.604 122.154 120.570 -0.035 0.000 2.385 296 I HA 0.296 4.465 4.170 -0.000 0.000 0.294 296 I C -0.453 175.615 176.117 -0.083 0.000 0.988 296 I CA -0.590 60.680 61.300 -0.051 0.000 1.265 296 I CB 1.237 39.232 38.000 -0.009 0.000 1.388 296 I HN -0.102 nan 8.210 nan 0.000 0.480 297 L N 6.818 127.979 121.223 -0.102 0.000 2.385 297 L HA 0.608 4.948 4.340 -0.000 0.000 0.273 297 L C -0.639 176.204 176.870 -0.045 0.000 0.990 297 L CA -0.970 53.808 54.840 -0.105 0.000 0.821 297 L CB 2.034 43.977 42.059 -0.193 0.000 1.279 297 L HN 0.353 nan 8.230 nan 0.000 0.412 298 V N -0.354 119.557 119.914 -0.004 0.000 2.715 298 V HA 0.917 5.037 4.120 -0.000 0.000 0.310 298 V C -0.319 175.834 176.094 0.099 0.000 1.054 298 V CA -0.137 62.194 62.300 0.051 0.000 0.928 298 V CB 1.811 33.677 31.823 0.071 0.000 1.007 298 V HN 0.798 nan 8.190 nan 0.000 0.437 299 S N 1.476 117.251 115.700 0.125 0.000 2.724 299 S HA 0.514 4.984 4.470 -0.000 0.000 0.278 299 S C -0.021 174.694 174.600 0.192 0.000 1.190 299 S CA -0.327 57.974 58.200 0.167 0.000 0.860 299 S CB 1.959 65.263 63.200 0.172 0.000 1.206 299 S HN 0.910 nan 8.310 nan 0.000 0.507 300 N N 0.675 119.513 118.700 0.230 0.000 2.273 300 N HA 0.100 4.840 4.740 -0.000 0.000 0.192 300 N C -0.769 175.006 175.510 0.442 0.000 1.132 300 N CA 0.283 53.507 53.050 0.290 0.000 0.887 300 N CB 0.211 38.843 38.487 0.242 0.000 1.048 300 N HN 0.729 nan 8.380 nan 0.000 0.490 301 D N 0.203 120.833 120.400 0.384 0.000 2.723 301 D HA -0.185 4.455 4.640 -0.000 0.000 0.236 301 D C -0.493 176.096 176.300 0.482 0.000 1.138 301 D CA 0.401 54.673 54.000 0.453 0.000 0.676 301 D CB -1.104 39.900 40.800 0.340 0.000 1.069 301 D HN 0.378 nan 8.370 nan 0.000 0.430 302 W N -0.573 120.791 121.300 0.107 0.000 2.166 302 W HA 0.524 5.184 4.660 -0.000 0.000 0.364 302 W C -0.002 176.392 176.519 -0.207 0.000 1.344 302 W CA -0.559 56.735 57.345 -0.086 0.000 1.471 302 W CB 0.632 29.989 29.460 -0.171 0.000 1.220 302 W HN 0.049 nan 8.180 nan 0.000 0.666 303 L N -0.501 120.265 121.223 -0.761 0.000 2.775 303 L HA 0.390 4.729 4.340 -0.000 0.000 0.263 303 L C -0.687 175.712 176.870 -0.785 0.000 1.017 303 L CA -0.773 53.665 54.840 -0.669 0.000 0.891 303 L CB 0.439 42.192 42.059 -0.509 0.000 1.482 303 L HN 0.307 nan 8.230 nan 0.000 0.410 304 F N -0.446 119.479 119.950 -0.041 0.000 2.727 304 F HA 0.711 5.238 4.527 -0.001 0.000 0.302 304 F C 1.153 176.971 175.800 0.030 0.000 1.107 304 F CA -0.015 57.996 58.000 0.019 0.000 1.277 304 F CB 1.047 40.067 39.000 0.034 0.000 1.079 304 F HN 0.697 nan 8.300 nan 0.000 0.594 305 G N -0.346 108.532 108.800 0.131 0.000 2.667 305 G HA2 0.510 4.470 3.960 -0.000 0.000 0.298 305 G HA3 0.510 4.470 3.960 -0.000 0.000 0.298 305 G C -2.143 172.940 174.900 0.305 0.000 1.377 305 G CA -0.382 44.864 45.100 0.243 0.000 0.964 305 G HN -0.165 nan 8.290 nan 0.000 0.493 306 F N 2.571 122.698 119.950 0.296 0.000 3.051 306 F HA 0.406 4.933 4.527 -0.000 0.000 0.363 306 F C 0.772 176.682 175.800 0.184 0.000 1.257 306 F CA -1.642 56.433 58.000 0.125 0.000 1.126 306 F CB 1.698 40.687 39.000 -0.019 0.000 1.476 306 F HN 0.483 nan 8.300 nan 0.000 0.576 307 S N 0.871 116.751 115.700 0.300 0.000 2.502 307 S HA -0.001 4.469 4.470 -0.000 0.000 0.215 307 S C 1.244 175.608 174.600 -0.392 0.000 1.009 307 S CA 0.626 58.626 58.200 -0.333 0.000 0.908 307 S CB -0.212 62.406 63.200 -0.969 0.000 0.801 307 S HN 0.501 nan 8.310 nan 0.000 0.505 308 S N 0.158 115.817 115.700 -0.068 0.000 2.840 308 S HA 0.354 4.824 4.470 -0.000 0.000 0.235 308 S C -0.252 174.390 174.600 0.069 0.000 0.968 308 S CA -0.541 57.663 58.200 0.007 0.000 1.026 308 S CB -0.735 62.569 63.200 0.174 0.000 0.788 308 S HN 0.589 nan 8.310 nan 0.000 0.487 309 Y N 0.388 120.446 120.300 -0.403 0.000 2.974 309 Y HA 0.527 5.077 4.550 -0.000 0.000 0.310 309 Y C -0.369 175.332 175.900 -0.332 0.000 1.551 309 Y CA -1.708 56.127 58.100 -0.442 0.000 1.084 309 Y CB 0.838 38.764 38.460 -0.890 0.000 1.446 309 Y HN 0.133 nan 8.280 nan 0.000 0.472 310 V N 0.703 120.190 119.914 -0.713 0.000 2.999 310 V HA 0.279 4.399 4.120 -0.000 0.000 0.307 310 V C 0.079 176.033 176.094 -0.233 0.000 1.084 310 V CA -0.375 61.645 62.300 -0.467 0.000 1.155 310 V CB -0.091 31.413 31.823 -0.531 0.000 0.975 310 V HN 0.729 nan 8.190 nan 0.000 0.490 311 T N 4.540 119.016 114.554 -0.129 0.000 2.940 311 T HA 0.189 4.539 4.350 -0.000 0.000 0.309 311 T C 0.929 175.565 174.700 -0.107 0.000 1.056 311 T CA 1.136 63.199 62.100 -0.063 0.000 1.137 311 T CB -0.345 68.491 68.868 -0.053 0.000 0.976 311 T HN 1.126 nan 8.240 nan 0.000 0.547 312 N N -0.545 118.084 118.700 -0.118 0.000 2.909 312 N HA -0.192 4.547 4.740 -0.000 0.000 0.242 312 N C 0.830 176.308 175.510 -0.054 0.000 0.975 312 N CA 0.542 53.537 53.050 -0.091 0.000 0.921 312 N CB -1.273 37.163 38.487 -0.086 0.000 1.112 312 N HN 0.575 nan 8.380 nan 0.000 0.581 313 I N 0.545 121.077 120.570 -0.064 0.000 2.264 313 I HA -0.178 3.991 4.170 -0.000 0.000 0.248 313 I C 2.062 178.187 176.117 0.013 0.000 1.111 313 I CA 1.581 62.862 61.300 -0.031 0.000 1.382 313 I CB -0.095 37.851 38.000 -0.090 0.000 1.060 313 I HN 0.284 nan 8.210 nan 0.000 0.418 314 M N -0.102 119.522 119.600 0.041 0.000 2.149 314 M HA -0.216 4.263 4.480 -0.000 0.000 0.261 314 M C 1.781 178.113 176.300 0.053 0.000 1.064 314 M CA 1.646 56.985 55.300 0.065 0.000 1.102 314 M CB -1.122 31.544 32.600 0.110 0.000 1.369 314 M HN 0.274 nan 8.290 nan 0.000 0.408 315 D N 0.033 120.453 120.400 0.035 0.000 2.117 315 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 315 D C 2.153 178.479 176.300 0.044 0.000 0.987 315 D CA 1.069 55.092 54.000 0.037 0.000 0.829 315 D CB -0.383 40.424 40.800 0.011 0.000 0.961 315 D HN 0.165 nan 8.370 nan 0.000 0.460 316 V N 0.915 120.847 119.914 0.031 0.000 2.295 316 V HA -0.251 3.868 4.120 -0.000 0.000 0.246 316 V C 2.533 178.660 176.094 0.055 0.000 1.049 316 V CA 1.427 63.748 62.300 0.035 0.000 1.024 316 V CB -0.411 31.427 31.823 0.024 0.000 0.648 316 V HN 0.200 nan 8.190 nan 0.000 0.447 317 M N -0.376 119.250 119.600 0.043 0.000 2.117 317 M HA -0.187 4.292 4.480 -0.000 0.000 0.262 317 M C 1.955 178.425 176.300 0.283 0.000 1.065 317 M CA 1.812 57.152 55.300 0.068 0.000 1.114 317 M CB -0.620 31.845 32.600 -0.225 0.000 1.361 317 M HN 0.319 nan 8.290 nan 0.000 0.408 318 D N -0.179 120.356 120.400 0.226 0.000 2.218 318 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 318 D C 2.016 178.409 176.300 0.155 0.000 0.976 318 D CA 1.049 55.202 54.000 0.254 0.000 0.853 318 D CB -0.232 40.687 40.800 0.197 0.000 0.939 318 D HN 0.332 nan 8.370 nan 0.000 0.481 319 R N 0.117 120.684 120.500 0.111 0.000 2.090 319 R HA -0.021 4.319 4.340 -0.000 0.000 0.228 319 R C 2.328 178.666 176.300 0.063 0.000 1.110 319 R CA 0.407 56.550 56.100 0.072 0.000 0.973 319 R CB -0.094 30.239 30.300 0.054 0.000 0.869 319 R HN 0.030 nan 8.270 nan 0.000 0.440 320 V N 1.073 121.035 119.914 0.080 0.000 2.358 320 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 320 V C 0.599 176.688 176.094 -0.010 0.000 1.047 320 V CA 1.416 63.749 62.300 0.055 0.000 1.035 320 V CB -0.398 31.471 31.823 0.077 0.000 0.658 320 V HN 0.353 nan 8.190 nan 0.000 0.452 321 N N -0.363 118.328 118.700 -0.015 0.000 2.727 321 N HA 0.246 4.985 4.740 -0.000 0.000 0.252 321 N C -2.018 173.377 175.510 -0.191 0.000 1.283 321 N CA -1.667 51.225 53.050 -0.263 0.000 0.782 321 N CB 1.559 39.561 38.487 -0.809 0.000 1.199 321 N HN -0.003 nan 8.380 nan 0.000 0.520 322 P HA -0.038 nan 4.420 nan 0.000 0.222 322 P C 0.234 177.497 177.300 -0.062 0.000 1.147 322 P CA 0.973 64.063 63.100 -0.017 0.000 0.790 322 P CB 0.426 32.129 31.700 0.004 0.000 0.780 323 D N -0.647 119.680 120.400 -0.121 0.000 2.348 323 D HA -0.002 4.638 4.640 -0.000 0.000 0.216 323 D C 1.692 177.871 176.300 -0.203 0.000 0.970 323 D CA 1.223 55.153 54.000 -0.116 0.000 0.889 323 D CB -0.324 40.430 40.800 -0.076 0.000 0.912 323 D HN 0.131 nan 8.370 nan 0.000 0.524 324 G N 1.653 110.180 108.800 -0.456 0.000 2.651 324 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.315 324 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.315 324 G C 1.062 175.580 174.900 -0.637 0.000 1.258 324 G CA 0.659 45.286 45.100 -0.789 0.000 1.002 324 G HN 0.283 nan 8.290 nan 0.000 0.551 325 M N 1.297 120.769 119.600 -0.212 0.000 2.460 325 M HA 0.149 4.629 4.480 -0.000 0.000 0.263 325 M C 2.673 178.948 176.300 -0.042 0.000 1.071 325 M CA 1.479 56.748 55.300 -0.052 0.000 1.096 325 M CB -0.108 32.549 32.600 0.095 0.000 1.408 325 M HN 0.658 nan 8.290 nan 0.000 0.463 326 A N -0.502 122.275 122.820 -0.072 0.000 2.238 326 A HA -0.038 4.281 4.320 -0.000 0.000 0.208 326 A C 1.754 179.271 177.584 -0.111 0.000 1.177 326 A CA 0.157 52.135 52.037 -0.098 0.000 0.804 326 A CB -0.853 18.089 19.000 -0.097 0.000 0.823 326 A HN 0.504 nan 8.150 nan 0.000 0.482 327 F N 0.911 120.705 119.950 -0.260 0.000 2.091 327 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 327 F C 1.907 177.576 175.800 -0.217 0.000 1.103 327 F CA 1.810 59.626 58.000 -0.307 0.000 1.228 327 F CB -0.022 38.725 39.000 -0.421 0.000 0.984 327 F HN 0.202 nan 8.300 nan 0.000 0.477 328 I N 1.519 122.082 120.570 -0.012 0.000 2.099 328 I HA -0.212 3.958 4.170 -0.000 0.000 0.239 328 I C -0.312 175.775 176.117 -0.051 0.000 1.066 328 I CA 1.832 63.134 61.300 0.003 0.000 1.324 328 I CB -2.971 35.138 38.000 0.182 0.000 1.037 328 I HN 0.138 nan 8.210 nan 0.000 0.401 329 P HA -0.090 nan 4.420 nan 0.000 0.219 329 P C 2.221 179.458 177.300 -0.106 0.000 1.150 329 P CA 1.393 64.471 63.100 -0.038 0.000 0.814 329 P CB 0.004 31.584 31.700 -0.200 0.000 0.787 330 L N -1.285 119.822 121.223 -0.193 0.000 2.162 330 L HA 0.046 4.386 4.340 -0.000 0.000 0.205 330 L C 2.769 179.470 176.870 -0.282 0.000 1.086 330 L CA 1.166 55.882 54.840 -0.206 0.000 0.778 330 L CB -0.363 41.566 42.059 -0.217 0.000 0.928 330 L HN -0.095 nan 8.230 nan 0.000 0.446 331 R N -1.424 118.765 120.500 -0.517 0.000 2.194 331 R HA 0.089 4.428 4.340 -0.000 0.000 0.194 331 R C 2.143 178.179 176.300 -0.440 0.000 0.985 331 R CA 0.302 56.003 56.100 -0.665 0.000 1.104 331 R CB 0.050 29.505 30.300 -1.408 0.000 1.092 331 R HN 0.024 nan 8.270 nan 0.000 0.555 332 V N 1.988 121.631 119.914 -0.451 0.000 2.307 332 V HA -0.206 3.913 4.120 -0.000 0.000 0.245 332 V C 2.314 178.505 176.094 0.162 0.000 1.045 332 V CA 1.414 63.702 62.300 -0.019 0.000 1.024 332 V CB -0.339 31.492 31.823 0.014 0.000 0.651 332 V HN 0.166 nan 8.190 nan 0.000 0.449 333 I N 0.362 120.977 120.570 0.075 0.000 2.099 333 I HA -0.134 4.035 4.170 -0.000 0.000 0.239 333 I C 0.186 176.362 176.117 0.098 0.000 1.066 333 I CA 1.799 63.158 61.300 0.099 0.000 1.324 333 I CB -2.810 35.250 38.000 0.100 0.000 1.037 333 I HN 0.320 nan 8.210 nan 0.000 0.401 334 P HA -0.199 nan 4.420 nan 0.000 0.215 334 P C 2.119 179.497 177.300 0.130 0.000 1.153 334 P CA 1.350 64.498 63.100 0.080 0.000 0.853 334 P CB -0.266 31.470 31.700 0.060 0.000 0.788 335 F N 0.342 120.337 119.950 0.075 0.000 2.095 335 F HA -0.199 4.328 4.527 -0.001 0.000 0.298 335 F C 1.969 177.820 175.800 0.086 0.000 1.104 335 F CA 1.496 59.574 58.000 0.129 0.000 1.232 335 F CB -0.735 38.443 39.000 0.296 0.000 0.987 335 F HN -0.261 nan 8.300 nan 0.000 0.475 336 L N -0.252 121.008 121.223 0.062 0.000 2.056 336 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 336 L C 2.699 179.509 176.870 -0.099 0.000 1.078 336 L CA 0.868 55.674 54.840 -0.057 0.000 0.749 336 L CB -0.760 41.352 42.059 0.089 0.000 0.901 336 L HN 0.047 nan 8.230 nan 0.000 0.433 337 R N 0.592 121.069 120.500 -0.039 0.000 2.083 337 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 337 R C 2.063 178.317 176.300 -0.076 0.000 1.137 337 R CA 1.516 57.594 56.100 -0.038 0.000 0.951 337 R CB -0.456 29.841 30.300 -0.005 0.000 0.851 337 R HN 0.405 nan 8.270 nan 0.000 0.434 338 E N 0.106 120.244 120.200 -0.104 0.000 2.153 338 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 338 E C 1.043 177.533 176.600 -0.184 0.000 0.988 338 E CA 0.844 57.169 56.400 -0.124 0.000 0.811 338 E CB 0.203 29.829 29.700 -0.123 0.000 0.746 338 E HN 0.063 nan 8.360 nan 0.000 0.466 339 K N -0.656 119.575 120.400 -0.281 0.000 2.505 339 K HA 0.046 4.366 4.320 -0.000 0.000 0.192 339 K C 1.025 177.536 176.600 -0.148 0.000 1.025 339 K CA 0.687 56.813 56.287 -0.267 0.000 1.086 339 K CB 0.657 32.922 32.500 -0.391 0.000 0.840 339 K HN 0.286 nan 8.250 nan 0.000 0.514 340 G N 0.424 109.159 108.800 -0.109 0.000 2.176 340 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.232 340 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.232 340 G C 0.102 174.971 174.900 -0.052 0.000 0.986 340 G CA 0.010 45.069 45.100 -0.069 0.000 0.643 340 G HN 0.116 nan 8.290 nan 0.000 0.522 341 V N 2.650 122.532 119.914 -0.054 0.000 2.508 341 V HA 0.392 4.512 4.120 -0.000 0.000 0.281 341 V C -1.370 174.710 176.094 -0.023 0.000 1.041 341 V CA -1.278 61.003 62.300 -0.031 0.000 1.016 341 V CB 1.090 32.903 31.823 -0.017 0.000 0.984 341 V HN 0.152 nan 8.190 nan 0.000 0.478 342 P HA 0.069 nan 4.420 nan 0.000 0.268 342 P C 0.591 177.885 177.300 -0.010 0.000 1.205 342 P CA 0.053 63.144 63.100 -0.015 0.000 0.771 342 P CB 0.640 32.331 31.700 -0.016 0.000 0.858 343 Q N 1.801 121.597 119.800 -0.006 0.000 2.135 343 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 343 Q C 1.376 177.373 176.000 -0.004 0.000 0.981 343 Q CA 1.924 57.727 55.803 0.000 0.000 0.856 343 Q CB -0.158 28.583 28.738 0.006 0.000 0.902 343 Q HN 0.393 nan 8.270 nan 0.000 0.425 344 E N -0.802 119.393 120.200 -0.008 0.000 2.077 344 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 344 E C 1.960 178.549 176.600 -0.020 0.000 0.989 344 E CA 1.786 58.178 56.400 -0.013 0.000 0.800 344 E CB -0.266 29.426 29.700 -0.013 0.000 0.746 344 E HN 0.327 nan 8.360 nan 0.000 0.452 345 T N 0.784 115.327 114.554 -0.018 0.000 2.777 345 T HA -0.075 4.274 4.350 -0.000 0.000 0.266 345 T C 1.828 176.511 174.700 -0.028 0.000 1.040 345 T CA 0.859 62.946 62.100 -0.021 0.000 1.141 345 T CB -0.223 68.635 68.868 -0.016 0.000 0.868 345 T HN 0.076 nan 8.240 nan 0.000 0.444 346 L N 0.829 122.039 121.223 -0.022 0.000 2.083 346 L HA -0.089 4.250 4.340 -0.000 0.000 0.209 346 L C 3.049 179.875 176.870 -0.074 0.000 1.083 346 L CA 1.251 56.073 54.840 -0.030 0.000 0.752 346 L CB -0.723 41.335 42.059 -0.001 0.000 0.899 346 L HN 0.236 nan 8.230 nan 0.000 0.433 347 A N 0.387 123.171 122.820 -0.061 0.000 1.930 347 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 347 A C 2.409 179.931 177.584 -0.104 0.000 1.175 347 A CA 1.581 53.566 52.037 -0.087 0.000 0.627 347 A CB -1.102 17.875 19.000 -0.038 0.000 0.815 347 A HN 0.438 nan 8.150 nan 0.000 0.443 348 G N -0.182 108.576 108.800 -0.071 0.000 2.422 348 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.218 348 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.218 348 G C 1.488 176.341 174.900 -0.079 0.000 1.140 348 G CA 1.035 46.098 45.100 -0.062 0.000 0.775 348 G HN 0.472 nan 8.290 nan 0.000 0.545 349 I N 1.387 121.903 120.570 -0.090 0.000 2.286 349 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 349 I C 3.048 179.070 176.117 -0.159 0.000 1.104 349 I CA 1.690 62.933 61.300 -0.096 0.000 1.397 349 I CB -0.125 37.835 38.000 -0.068 0.000 1.072 349 I HN 0.302 nan 8.210 nan 0.000 0.417 350 T N -2.900 111.484 114.554 -0.282 0.000 3.067 350 T HA 0.105 4.455 4.350 -0.000 0.000 0.257 350 T C 1.405 175.836 174.700 -0.447 0.000 1.105 350 T CA 0.469 62.247 62.100 -0.536 0.000 1.104 350 T CB 0.102 68.265 68.868 -1.175 0.000 0.925 350 T HN 0.108 nan 8.240 nan 0.000 0.498 351 V N 0.824 120.586 119.914 -0.255 0.000 3.001 351 V HA 0.051 4.171 4.120 -0.000 0.000 0.228 351 V C 2.801 178.860 176.094 -0.059 0.000 1.204 351 V CA 1.123 63.347 62.300 -0.126 0.000 1.247 351 V CB -0.420 31.352 31.823 -0.084 0.000 1.093 351 V HN 0.370 nan 8.190 nan 0.000 0.504 352 T N 1.166 115.687 114.554 -0.055 0.000 2.674 352 T HA -0.164 4.186 4.350 -0.000 0.000 0.265 352 T C 1.793 176.485 174.700 -0.012 0.000 1.039 352 T CA 1.943 64.027 62.100 -0.027 0.000 1.150 352 T CB -0.384 68.469 68.868 -0.026 0.000 0.864 352 T HN 0.332 nan 8.240 nan 0.000 0.427 353 N N 1.661 120.346 118.700 -0.026 0.000 2.069 353 N HA -0.067 4.673 4.740 -0.000 0.000 0.191 353 N C -0.944 174.586 175.510 0.034 0.000 1.031 353 N CA 1.308 54.352 53.050 -0.011 0.000 0.852 353 N CB -1.575 36.886 38.487 -0.045 0.000 1.018 353 N HN 0.349 nan 8.380 nan 0.000 0.423 354 P HA -0.031 nan 4.420 nan 0.000 0.217 354 P C 1.056 178.426 177.300 0.117 0.000 1.150 354 P CA 1.516 64.677 63.100 0.102 0.000 0.832 354 P CB -0.099 31.643 31.700 0.070 0.000 0.787 355 A N 0.069 122.923 122.820 0.057 0.000 1.902 355 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 355 A C 2.476 180.084 177.584 0.040 0.000 1.181 355 A CA 1.567 53.626 52.037 0.036 0.000 0.623 355 A CB -1.228 17.782 19.000 0.016 0.000 0.818 355 A HN 0.015 nan 8.150 nan 0.000 0.443 356 R N -1.933 118.600 120.500 0.055 0.000 2.081 356 R HA -0.137 4.202 4.340 -0.000 0.000 0.235 356 R C 1.971 178.332 176.300 0.102 0.000 1.131 356 R CA 1.711 57.845 56.100 0.056 0.000 0.960 356 R CB -0.396 29.934 30.300 0.050 0.000 0.856 356 R HN 0.514 nan 8.270 nan 0.000 0.436 357 F N 1.256 121.185 119.950 -0.035 0.000 2.113 357 F HA -0.116 4.411 4.527 -0.001 0.000 0.297 357 F C 1.821 177.595 175.800 -0.043 0.000 1.103 357 F CA 1.372 59.349 58.000 -0.040 0.000 1.248 357 F CB -0.402 38.578 39.000 -0.034 0.000 0.999 357 F HN -0.040 nan 8.300 nan 0.000 0.475 358 L N -0.409 120.770 121.223 -0.074 0.000 2.141 358 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 358 L C 1.033 177.800 176.870 -0.172 0.000 1.094 358 L CA 0.472 55.192 54.840 -0.199 0.000 0.763 358 L CB -0.906 41.115 42.059 -0.064 0.000 0.908 358 L HN -0.089 nan 8.230 nan 0.000 0.437 359 S N 1.183 116.823 115.700 -0.101 0.000 2.509 359 S HA 0.100 4.570 4.470 -0.000 0.000 0.287 359 S C -2.132 172.401 174.600 -0.112 0.000 1.248 359 S CA -1.007 57.140 58.200 -0.088 0.000 1.089 359 S CB 0.153 63.322 63.200 -0.053 0.000 0.900 359 S HN 0.017 nan 8.310 nan 0.000 0.496 360 P HA 0.102 nan 4.420 nan 0.000 0.261 360 P C -0.693 176.556 177.300 -0.084 0.000 1.183 360 P CA 0.137 63.172 63.100 -0.108 0.000 0.761 360 P CB 0.212 31.858 31.700 -0.089 0.000 0.785 361 T N 4.183 118.685 114.554 -0.086 0.000 2.937 361 T HA 0.406 4.756 4.350 -0.000 0.000 0.297 361 T C -0.063 174.603 174.700 -0.056 0.000 0.991 361 T CA -0.574 61.489 62.100 -0.063 0.000 0.990 361 T CB 0.523 69.356 68.868 -0.059 0.000 0.991 361 T HN 0.120 nan 8.240 nan 0.000 0.440 362 L N 2.504 123.701 121.223 -0.043 0.000 2.350 362 L HA 0.516 4.856 4.340 -0.000 0.000 0.275 362 L C 1.071 177.923 176.870 -0.030 0.000 1.099 362 L CA -0.972 53.847 54.840 -0.035 0.000 0.808 362 L CB 0.625 42.667 42.059 -0.027 0.000 1.149 362 L HN 0.342 nan 8.230 nan 0.000 0.442 363 R N 1.507 121.991 120.500 -0.027 0.000 2.594 363 R HA 0.410 4.750 4.340 -0.000 0.000 0.272 363 R C -0.078 176.212 176.300 -0.017 0.000 1.074 363 R CA -0.122 55.964 56.100 -0.023 0.000 1.105 363 R CB 1.285 31.573 30.300 -0.020 0.000 1.008 363 R HN 0.803 nan 8.270 nan 0.000 0.472 364 A N 0.000 122.811 122.820 -0.015 0.000 2.254 364 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 364 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 364 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 364 A HN 0.000 nan 8.150 nan 0.000 0.486