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 2q28_1_A DATA FIRST_RESID 5 DATA SEQUENCE LQMTDGMHII VEALKQNNID TIYGVVGIPV TDMARHAQAE GIRYIGFRHE DATA SEQUENCE QSAGYAAAAS GFLTQKPGIC LTVSAPGFLN GLTALANATV NGFPMIMISG DATA SEQUENCE SSDRAIVDLQ QGDYEELDQM NAAKPYAKAA FRVNQPQDLG IALARAIRVS DATA SEQUENCE VSGRPGGVYL DLPANVLAAT MEKDEALTTI VKVENPSPAL LPCPKSVTSA DATA SEQUENCE ISLLAKAERP LIILGKGAAY SQADEQLREF IESAQIPFLP MSMAKGILED DATA SEQUENCE THPLSAAAAR SFALANADVV MLVGARLNWL LAHGKKGWAA DTQFIQLDIE DATA SEQUENCE PQEIDSNRPI AVPVVGDIAS SMQGMLAELK QNTFTTPLVW RDILNIHKQQ DATA SEQUENCE NAQKMHEKLS TDTQPLNYFN ALSAVRDVLR ENQDIYLVNE GANTLDNARN DATA SEQUENCE IIDMYKPRRR LDCGTWGVMG IGMGYAIGAS VTSGSPVVAI EGDSAFGFSG DATA SEQUENCE MEIETICRYN LPVTIVIFNN GGIYRGDGVD LSGAGAPSPT DLLHHARYDK DATA SEQUENCE LMDAFRGVGY NVTTTDELRH ALTTGIQSRK PTIINVVIDP AAGTESGHIT 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.855 176.870 -0.025 0.000 1.165 5 L CA 0.000 54.829 54.840 -0.019 0.000 0.813 5 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 6 Q N 4.310 124.094 119.800 -0.027 0.000 2.296 6 Q HA 0.471 4.720 4.340 -0.152 0.000 0.262 6 Q C -0.499 175.475 176.000 -0.044 0.000 0.981 6 Q CA -0.013 55.768 55.803 -0.037 0.000 0.905 6 Q CB 1.414 30.132 28.738 -0.034 0.000 1.186 6 Q HN 0.352 nan 8.270 nan 0.000 0.399 7 M N 1.156 120.721 119.600 -0.059 0.000 2.598 7 M HA 0.479 4.868 4.480 -0.152 0.000 0.317 7 M C 0.092 176.329 176.300 -0.106 0.000 1.201 7 M CA -0.352 54.908 55.300 -0.067 0.000 0.971 7 M CB 1.720 34.283 32.600 -0.061 0.000 1.657 7 M HN 0.597 nan 8.290 nan 0.000 0.470 8 T N -0.042 114.452 114.554 -0.099 0.000 2.742 8 T HA 0.673 4.932 4.350 -0.152 0.000 0.282 8 T C -1.757 172.885 174.700 -0.096 0.000 1.025 8 T CA -0.446 61.563 62.100 -0.152 0.000 1.020 8 T CB 1.733 70.541 68.868 -0.100 0.000 1.317 8 T HN 0.794 nan 8.240 nan 0.000 0.538 9 D N -1.286 119.077 120.400 -0.061 0.000 2.592 9 D HA 0.473 5.022 4.640 -0.152 0.000 0.263 9 D C 1.303 177.641 176.300 0.063 0.000 1.132 9 D CA -0.188 53.819 54.000 0.011 0.000 0.996 9 D CB 0.454 41.265 40.800 0.019 0.000 1.442 9 D HN 0.662 nan 8.370 nan 0.000 0.486 10 G N -0.185 108.642 108.800 0.044 0.000 2.442 10 G HA2 -0.294 3.575 3.960 -0.152 0.000 0.219 10 G HA3 -0.294 3.575 3.960 -0.152 0.000 0.219 10 G C 1.218 176.153 174.900 0.058 0.000 1.141 10 G CA 1.163 46.289 45.100 0.043 0.000 0.763 10 G HN 0.455 nan 8.290 nan 0.000 0.554 11 M N 0.243 119.881 119.600 0.064 0.000 2.117 11 M HA -0.100 4.289 4.480 -0.152 0.000 0.262 11 M C 2.306 178.626 176.300 0.033 0.000 1.065 11 M CA 1.801 57.120 55.300 0.033 0.000 1.114 11 M CB -0.803 31.793 32.600 -0.007 0.000 1.361 11 M HN 0.368 nan 8.290 nan 0.000 0.408 12 H N 0.032 119.094 119.070 -0.013 0.000 2.387 12 H HA -0.007 4.458 4.556 -0.152 0.000 0.299 12 H C 2.027 177.401 175.328 0.075 0.000 1.090 12 H CA 2.192 58.259 56.048 0.031 0.000 1.332 12 H CB -0.296 29.430 29.762 -0.059 0.000 1.386 12 H HN 0.404 nan 8.280 nan 0.000 0.516 13 I N -0.540 120.120 120.570 0.150 0.000 2.179 13 I HA -0.217 3.862 4.170 -0.152 0.000 0.242 13 I C 2.169 178.326 176.117 0.066 0.000 1.088 13 I CA 0.981 62.334 61.300 0.090 0.000 1.357 13 I CB -0.120 37.913 38.000 0.055 0.000 1.051 13 I HN 0.210 nan 8.210 nan 0.000 0.409 14 I N 0.204 120.807 120.570 0.056 0.000 2.315 14 I HA -0.191 3.887 4.170 -0.152 0.000 0.248 14 I C 2.276 178.417 176.117 0.040 0.000 1.117 14 I CA 1.451 62.774 61.300 0.039 0.000 1.404 14 I CB -0.132 37.887 38.000 0.031 0.000 1.071 14 I HN -0.078 nan 8.210 nan 0.000 0.419 15 V N 0.547 120.494 119.914 0.056 0.000 2.295 15 V HA -0.275 3.753 4.120 -0.152 0.000 0.246 15 V C 2.531 178.637 176.094 0.021 0.000 1.049 15 V CA 2.084 64.404 62.300 0.033 0.000 1.024 15 V CB -0.811 31.038 31.823 0.044 0.000 0.648 15 V HN 0.483 nan 8.190 nan 0.000 0.447 16 E N 0.830 121.063 120.200 0.056 0.000 2.118 16 E HA -0.195 4.064 4.350 -0.152 0.000 0.195 16 E C 2.079 178.694 176.600 0.026 0.000 0.992 16 E CA 1.710 58.136 56.400 0.044 0.000 0.804 16 E CB -0.474 29.269 29.700 0.071 0.000 0.741 16 E HN 0.520 nan 8.360 nan 0.000 0.458 17 A N 0.342 123.178 122.820 0.027 0.000 1.902 17 A HA -0.122 4.106 4.320 -0.152 0.000 0.217 17 A C 2.303 179.894 177.584 0.012 0.000 1.181 17 A CA 1.451 53.498 52.037 0.016 0.000 0.623 17 A CB -0.722 18.286 19.000 0.013 0.000 0.818 17 A HN 0.344 nan 8.150 nan 0.000 0.443 18 L N -0.745 120.486 121.223 0.014 0.000 2.046 18 L HA -0.192 4.057 4.340 -0.152 0.000 0.208 18 L C 2.632 179.504 176.870 0.003 0.000 1.077 18 L CA 1.941 56.788 54.840 0.012 0.000 0.747 18 L CB -0.395 41.672 42.059 0.013 0.000 0.896 18 L HN 0.436 nan 8.230 nan 0.000 0.432 19 K N -0.026 120.372 120.400 -0.004 0.000 2.026 19 K HA -0.220 4.009 4.320 -0.152 0.000 0.208 19 K C 2.152 178.750 176.600 -0.004 0.000 1.048 19 K CA 1.487 57.768 56.287 -0.011 0.000 0.929 19 K CB -0.033 32.456 32.500 -0.018 0.000 0.713 19 K HN 0.324 nan 8.250 nan 0.000 0.439 20 Q N -0.040 119.761 119.800 0.002 0.000 2.226 20 Q HA -0.133 4.116 4.340 -0.152 0.000 0.204 20 Q C 0.649 176.651 176.000 0.003 0.000 0.975 20 Q CA 1.334 57.139 55.803 0.003 0.000 0.866 20 Q CB -0.058 28.683 28.738 0.005 0.000 0.915 20 Q HN 0.379 nan 8.270 nan 0.000 0.440 21 N N 0.419 119.122 118.700 0.005 0.000 2.295 21 N HA 0.075 4.724 4.740 -0.152 0.000 0.221 21 N C -0.949 174.565 175.510 0.008 0.000 1.129 21 N CA -0.108 52.947 53.050 0.008 0.000 0.836 21 N CB 0.294 38.788 38.487 0.012 0.000 1.040 21 N HN 0.195 nan 8.380 nan 0.000 0.494 22 N N 0.020 118.721 118.700 0.002 0.000 2.747 22 N HA -0.152 4.497 4.740 -0.152 0.000 0.249 22 N C -1.102 174.408 175.510 0.001 0.000 1.107 22 N CA 0.137 53.187 53.050 -0.001 0.000 0.707 22 N CB -0.581 37.906 38.487 -0.001 0.000 1.054 22 N HN 0.202 nan 8.380 nan 0.000 0.555 23 I N 0.967 121.538 120.570 0.002 0.000 2.436 23 I HA 0.019 4.098 4.170 -0.152 0.000 0.289 23 I C 1.082 177.188 176.117 -0.018 0.000 1.083 23 I CA 0.450 61.751 61.300 0.001 0.000 1.372 23 I CB 0.816 38.822 38.000 0.009 0.000 1.408 23 I HN 0.146 nan 8.210 nan 0.000 0.516 24 D N 3.834 124.217 120.400 -0.029 0.000 2.388 24 D HA 0.068 4.617 4.640 -0.152 0.000 0.208 24 D C 0.205 176.452 176.300 -0.088 0.000 1.035 24 D CA 0.836 54.807 54.000 -0.048 0.000 0.875 24 D CB 0.950 41.725 40.800 -0.042 0.000 0.984 24 D HN 0.448 nan 8.370 nan 0.000 0.508 25 T N 0.588 115.070 114.554 -0.119 0.000 2.956 25 T HA 0.542 4.801 4.350 -0.152 0.000 0.312 25 T C -0.371 174.164 174.700 -0.274 0.000 1.151 25 T CA -0.492 61.452 62.100 -0.260 0.000 1.024 25 T CB 2.347 70.978 68.868 -0.396 0.000 1.140 25 T HN -0.172 nan 8.240 nan 0.000 0.473 26 I N 2.553 122.935 120.570 -0.314 0.000 2.498 26 I HA 0.448 4.527 4.170 -0.152 0.000 0.290 26 I C -1.308 174.572 176.117 -0.394 0.000 1.032 26 I CA -0.994 60.198 61.300 -0.180 0.000 1.073 26 I CB 1.711 39.764 38.000 0.087 0.000 1.251 26 I HN 0.609 nan 8.210 nan 0.000 0.426 27 Y N 4.017 124.294 120.300 -0.038 0.000 2.331 27 Y HA 0.783 5.241 4.550 -0.153 0.000 0.338 27 Y C 0.671 176.551 175.900 -0.035 0.000 0.992 27 Y CA -0.486 57.600 58.100 -0.024 0.000 1.121 27 Y CB 1.977 40.420 38.460 -0.028 0.000 1.184 27 Y HN 0.643 nan 8.280 nan 0.000 0.469 28 G N 0.640 109.540 108.800 0.166 0.000 2.548 28 G HA2 0.595 4.464 3.960 -0.152 0.000 0.301 28 G HA3 0.595 4.464 3.960 -0.152 0.000 0.301 28 G C -2.248 172.871 174.900 0.366 0.000 1.349 28 G CA -0.788 44.462 45.100 0.251 0.000 0.792 28 G HN 0.391 nan 8.290 nan 0.000 0.481 29 V N 0.592 120.693 119.914 0.312 0.000 2.668 29 V HA 0.628 4.657 4.120 -0.152 0.000 0.304 29 V C 0.598 176.826 176.094 0.222 0.000 1.071 29 V CA -0.464 62.003 62.300 0.278 0.000 0.894 29 V CB 1.069 32.991 31.823 0.165 0.000 1.008 29 V HN 1.241 nan 8.190 nan 0.000 0.425 30 V N 2.063 122.095 119.914 0.196 0.000 3.553 30 V HA 1.142 5.171 4.120 -0.152 0.000 0.287 30 V C 0.507 176.655 176.094 0.089 0.000 1.111 30 V CA 0.227 62.593 62.300 0.109 0.000 0.950 30 V CB 1.182 33.018 31.823 0.021 0.000 1.243 30 V HN 1.899 nan 8.190 nan 0.000 0.443 31 G N -1.043 107.798 108.800 0.068 0.000 2.353 31 G HA2 0.112 3.981 3.960 -0.152 0.000 0.424 31 G HA3 0.112 3.981 3.960 -0.152 0.000 0.424 31 G C -1.005 173.945 174.900 0.083 0.000 1.320 31 G CA -0.577 44.571 45.100 0.080 0.000 0.995 31 G HN 1.005 nan 8.290 nan 0.000 0.580 32 I N 1.930 122.564 120.570 0.107 0.000 2.710 32 I HA 0.222 4.301 4.170 -0.152 0.000 0.286 32 I C -1.167 175.030 176.117 0.134 0.000 1.181 32 I CA -1.036 60.316 61.300 0.087 0.000 1.430 32 I CB 1.319 39.344 38.000 0.040 0.000 1.367 32 I HN 0.333 nan 8.210 nan 0.000 0.577 33 P HA 0.084 nan 4.420 nan 0.000 0.274 33 P C 0.475 177.795 177.300 0.034 0.000 1.673 33 P CA 0.116 63.240 63.100 0.040 0.000 1.193 33 P CB 0.206 31.927 31.700 0.034 0.000 1.571 34 V N -5.067 114.874 119.914 0.044 0.000 3.477 34 V HA 0.149 4.178 4.120 -0.152 0.000 0.297 34 V C 1.679 177.771 176.094 -0.002 0.000 1.433 34 V CA 0.415 62.734 62.300 0.033 0.000 1.052 34 V CB -0.986 30.876 31.823 0.065 0.000 0.895 34 V HN -0.135 nan 8.190 nan 0.000 0.438 35 T N 1.275 115.824 114.554 -0.008 0.000 2.652 35 T HA -0.192 4.067 4.350 -0.152 0.000 0.267 35 T C 1.526 176.188 174.700 -0.063 0.000 1.039 35 T CA 2.507 64.581 62.100 -0.043 0.000 1.153 35 T CB -0.400 68.454 68.868 -0.023 0.000 0.863 35 T HN 0.535 nan 8.240 nan 0.000 0.428 36 D N 0.689 121.066 120.400 -0.038 0.000 2.123 36 D HA -0.077 4.471 4.640 -0.152 0.000 0.196 36 D C 1.967 178.244 176.300 -0.037 0.000 0.992 36 D CA 0.828 54.806 54.000 -0.036 0.000 0.833 36 D CB -0.440 40.343 40.800 -0.029 0.000 0.954 36 D HN 0.344 nan 8.370 nan 0.000 0.455 37 M N 0.445 120.025 119.600 -0.032 0.000 2.080 37 M HA -0.221 4.168 4.480 -0.152 0.000 0.260 37 M C 2.000 178.275 176.300 -0.041 0.000 1.068 37 M CA 1.986 57.276 55.300 -0.018 0.000 1.109 37 M CB 0.061 32.662 32.600 0.002 0.000 1.342 37 M HN 0.013 nan 8.290 nan 0.000 0.405 38 A N 0.753 123.506 122.820 -0.112 0.000 1.877 38 A HA -0.177 4.052 4.320 -0.152 0.000 0.216 38 A C 2.095 179.543 177.584 -0.226 0.000 1.186 38 A CA 1.812 53.694 52.037 -0.259 0.000 0.620 38 A CB -0.737 17.911 19.000 -0.586 0.000 0.822 38 A HN 0.617 nan 8.150 nan 0.000 0.443 39 R N -1.593 118.810 120.500 -0.161 0.000 2.103 39 R HA -0.210 4.039 4.340 -0.152 0.000 0.242 39 R C 2.272 178.554 176.300 -0.029 0.000 1.142 39 R CA 1.853 57.901 56.100 -0.087 0.000 0.960 39 R CB -0.585 29.687 30.300 -0.047 0.000 0.858 39 R HN 0.794 nan 8.270 nan 0.000 0.439 40 H N 0.551 119.548 119.070 -0.122 0.000 2.395 40 H HA 0.102 4.567 4.556 -0.151 0.000 0.299 40 H C 1.872 177.138 175.328 -0.104 0.000 1.070 40 H CA 1.389 57.356 56.048 -0.135 0.000 1.356 40 H CB -0.115 29.498 29.762 -0.250 0.000 1.401 40 H HN 0.219 nan 8.280 nan 0.000 0.524 41 A N 0.457 123.171 122.820 -0.176 0.000 1.908 41 A HA -0.266 3.963 4.320 -0.152 0.000 0.218 41 A C 2.361 179.861 177.584 -0.141 0.000 1.181 41 A CA 1.975 53.909 52.037 -0.172 0.000 0.627 41 A CB -0.812 18.158 19.000 -0.051 0.000 0.818 41 A HN 0.663 nan 8.150 nan 0.000 0.445 42 Q N -0.766 118.982 119.800 -0.087 0.000 2.079 42 Q HA -0.094 4.155 4.340 -0.152 0.000 0.200 42 Q C 2.217 178.178 176.000 -0.065 0.000 0.974 42 Q CA 1.396 57.175 55.803 -0.040 0.000 0.840 42 Q CB -0.348 28.389 28.738 -0.003 0.000 0.898 42 Q HN 0.614 nan 8.270 nan 0.000 0.430 43 A N 1.020 123.786 122.820 -0.091 0.000 1.948 43 A HA -0.185 4.043 4.320 -0.152 0.000 0.220 43 A C 1.681 179.195 177.584 -0.118 0.000 1.177 43 A CA 1.587 53.578 52.037 -0.076 0.000 0.636 43 A CB -0.399 18.585 19.000 -0.028 0.000 0.815 43 A HN 0.385 nan 8.150 nan 0.000 0.449 44 E N -1.315 118.749 120.200 -0.227 0.000 2.494 44 E HA 0.191 4.450 4.350 -0.152 0.000 0.193 44 E C 1.189 177.724 176.600 -0.108 0.000 1.074 44 E CA 0.670 56.953 56.400 -0.196 0.000 0.867 44 E CB -0.164 29.346 29.700 -0.318 0.000 0.924 44 E HN 0.829 nan 8.360 nan 0.000 0.502 45 G N 1.421 110.172 108.800 -0.081 0.000 2.176 45 G HA2 -0.267 3.602 3.960 -0.152 0.000 0.232 45 G HA3 -0.267 3.602 3.960 -0.152 0.000 0.232 45 G C 0.386 175.258 174.900 -0.047 0.000 0.986 45 G CA -0.074 44.996 45.100 -0.050 0.000 0.643 45 G HN 0.270 nan 8.290 nan 0.000 0.522 46 I N 1.330 121.866 120.570 -0.056 0.000 2.556 46 I HA 0.201 4.280 4.170 -0.152 0.000 0.284 46 I C 1.266 177.362 176.117 -0.034 0.000 1.114 46 I CA -0.489 60.783 61.300 -0.047 0.000 1.418 46 I CB 0.807 38.782 38.000 -0.042 0.000 1.394 46 I HN 0.135 nan 8.210 nan 0.000 0.552 47 R N 6.082 126.541 120.500 -0.067 0.000 2.316 47 R HA 0.106 4.355 4.340 -0.152 0.000 0.314 47 R C -1.334 174.902 176.300 -0.106 0.000 1.069 47 R CA -0.266 55.780 56.100 -0.090 0.000 0.959 47 R CB 0.439 30.648 30.300 -0.150 0.000 0.987 47 R HN 0.515 nan 8.270 nan 0.000 0.446 48 Y N 6.419 126.632 120.300 -0.147 0.000 2.335 48 Y HA 0.332 4.792 4.550 -0.151 0.000 0.339 48 Y C -0.717 175.066 175.900 -0.194 0.000 0.987 48 Y CA -0.959 57.064 58.100 -0.128 0.000 1.140 48 Y CB 0.917 39.358 38.460 -0.031 0.000 1.173 48 Y HN 0.415 nan 8.280 nan 0.000 0.486 49 I N 6.614 126.584 120.570 -1.001 0.000 2.359 49 I HA 0.327 4.406 4.170 -0.152 0.000 0.284 49 I C 0.500 176.213 176.117 -0.673 0.000 1.018 49 I CA -0.441 60.347 61.300 -0.854 0.000 1.173 49 I CB 0.847 38.469 38.000 -0.630 0.000 1.326 49 I HN 0.845 nan 8.210 nan 0.000 0.462 50 G N 5.788 114.452 108.800 -0.226 0.000 2.338 50 G HA2 0.572 4.441 3.960 -0.152 0.000 0.298 50 G HA3 0.572 4.441 3.960 -0.152 0.000 0.298 50 G C -0.889 174.063 174.900 0.088 0.000 1.140 50 G CA -0.112 45.072 45.100 0.140 0.000 0.860 50 G HN 0.265 nan 8.290 nan 0.000 0.470 51 F N 0.489 120.506 119.950 0.113 0.000 2.518 51 F HA 0.537 4.972 4.527 -0.153 0.000 0.338 51 F C 1.535 177.386 175.800 0.084 0.000 1.065 51 F CA -1.193 56.866 58.000 0.098 0.000 1.012 51 F CB 1.580 40.630 39.000 0.083 0.000 1.297 51 F HN 0.206 nan 8.300 nan 0.000 0.489 52 R N -0.376 120.283 120.500 0.264 0.000 2.280 52 R HA 0.085 4.334 4.340 -0.152 0.000 0.195 52 R C -0.246 176.182 176.300 0.213 0.000 0.935 52 R CA 0.519 56.721 56.100 0.170 0.000 1.033 52 R CB -0.514 29.844 30.300 0.097 0.000 0.964 52 R HN 0.490 nan 8.270 nan 0.000 0.489 53 H N -0.338 118.814 119.070 0.136 0.000 3.038 53 H HA 0.156 4.621 4.556 -0.152 0.000 0.362 53 H C -0.193 175.136 175.328 0.000 0.000 1.167 53 H CA -0.250 55.830 56.048 0.052 0.000 1.197 53 H CB 1.764 31.539 29.762 0.021 0.000 1.840 53 H HN -0.230 nan 8.280 nan 0.000 0.540 54 E N 2.105 122.286 120.200 -0.031 0.000 2.204 54 E HA -0.161 4.098 4.350 -0.152 0.000 0.195 54 E C 1.852 178.379 176.600 -0.122 0.000 0.990 54 E CA 1.135 57.495 56.400 -0.067 0.000 0.821 54 E CB 0.224 29.855 29.700 -0.115 0.000 0.750 54 E HN 0.596 nan 8.360 nan 0.000 0.477 55 Q N 0.097 119.940 119.800 0.072 0.000 2.084 55 Q HA -0.159 4.089 4.340 -0.152 0.000 0.202 55 Q C 1.858 177.486 176.000 -0.620 0.000 0.978 55 Q CA 1.675 57.263 55.803 -0.358 0.000 0.844 55 Q CB -0.008 28.559 28.738 -0.285 0.000 0.898 55 Q HN 0.188 nan 8.270 nan 0.000 0.426 56 S N 0.119 115.665 115.700 -0.256 0.000 2.402 56 S HA -0.100 4.279 4.470 -0.152 0.000 0.229 56 S C 1.880 176.088 174.600 -0.654 0.000 1.021 56 S CA 0.793 58.887 58.200 -0.176 0.000 0.974 56 S CB -0.226 63.068 63.200 0.157 0.000 0.800 56 S HN 0.558 nan 8.310 nan 0.000 0.484 57 A N 1.488 123.694 122.820 -1.023 0.000 1.902 57 A HA 0.048 4.277 4.320 -0.152 0.000 0.217 57 A C 2.304 179.500 177.584 -0.647 0.000 1.181 57 A CA 1.732 52.938 52.037 -1.386 0.000 0.623 57 A CB -1.329 17.223 19.000 -0.745 0.000 0.818 57 A HN 0.517 nan 8.150 nan 0.000 0.443 58 G N -1.771 106.755 108.800 -0.457 0.000 2.408 58 G HA2 -0.144 3.725 3.960 -0.152 0.000 0.217 58 G HA3 -0.144 3.725 3.960 -0.152 0.000 0.217 58 G C 1.427 176.237 174.900 -0.150 0.000 1.150 58 G CA 1.095 46.021 45.100 -0.289 0.000 0.776 58 G HN 0.488 nan 8.290 nan 0.000 0.542 59 Y N 1.331 121.560 120.300 -0.118 0.000 2.200 59 Y HA 0.091 4.550 4.550 -0.151 0.000 0.290 59 Y C 3.098 179.038 175.900 0.066 0.000 1.137 59 Y CA 0.107 58.236 58.100 0.048 0.000 1.163 59 Y CB -0.986 37.408 38.460 -0.110 0.000 0.988 59 Y HN 0.259 nan 8.280 nan 0.000 0.518 60 A N 0.139 122.915 122.820 -0.073 0.000 1.902 60 A HA -0.125 4.104 4.320 -0.152 0.000 0.217 60 A C 2.530 179.751 177.584 -0.606 0.000 1.181 60 A CA 2.019 53.837 52.037 -0.365 0.000 0.623 60 A CB -1.206 17.435 19.000 -0.598 0.000 0.818 60 A HN 0.381 nan 8.150 nan 0.000 0.443 61 A N -0.094 122.422 122.820 -0.507 0.000 1.877 61 A HA 0.131 4.359 4.320 -0.152 0.000 0.216 61 A C 2.540 180.102 177.584 -0.036 0.000 1.186 61 A CA 2.270 54.193 52.037 -0.190 0.000 0.620 61 A CB -1.129 17.882 19.000 0.019 0.000 0.822 61 A HN 1.111 nan 8.150 nan 0.000 0.443 62 A N -0.162 122.685 122.820 0.046 0.000 1.908 62 A HA 0.116 4.345 4.320 -0.152 0.000 0.218 62 A C 2.521 180.056 177.584 -0.082 0.000 1.181 62 A CA 2.289 54.408 52.037 0.137 0.000 0.627 62 A CB -1.074 18.150 19.000 0.373 0.000 0.818 62 A HN 1.109 nan 8.150 nan 0.000 0.445 63 A N -0.420 122.278 122.820 -0.203 0.000 1.877 63 A HA -0.093 4.136 4.320 -0.152 0.000 0.216 63 A C 2.438 179.904 177.584 -0.195 0.000 1.186 63 A CA 2.136 53.923 52.037 -0.417 0.000 0.620 63 A CB -0.979 17.768 19.000 -0.422 0.000 0.822 63 A HN 0.481 nan 8.150 nan 0.000 0.443 64 S N -0.237 115.392 115.700 -0.118 0.000 2.374 64 S HA -0.120 4.258 4.470 -0.152 0.000 0.227 64 S C 2.060 176.668 174.600 0.013 0.000 1.037 64 S CA 1.274 59.464 58.200 -0.018 0.000 1.024 64 S CB -0.799 62.458 63.200 0.095 0.000 0.861 64 S HN 0.795 nan 8.310 nan 0.000 0.456 65 G N 0.868 109.690 108.800 0.036 0.000 2.421 65 G HA2 -0.215 3.654 3.960 -0.152 0.000 0.216 65 G HA3 -0.215 3.654 3.960 -0.152 0.000 0.216 65 G C 1.238 176.238 174.900 0.167 0.000 1.171 65 G CA 0.779 45.945 45.100 0.109 0.000 0.775 65 G HN 0.494 nan 8.290 nan 0.000 0.543 66 F N 1.418 121.272 119.950 -0.161 0.000 2.126 66 F HA -0.006 4.428 4.527 -0.154 0.000 0.299 66 F C 2.359 178.139 175.800 -0.032 0.000 1.096 66 F CA 1.235 59.134 58.000 -0.170 0.000 1.255 66 F CB -0.219 38.251 39.000 -0.884 0.000 0.997 66 F HN 0.050 nan 8.300 nan 0.000 0.479 67 L N -0.423 120.703 121.223 -0.163 0.000 2.217 67 L HA -0.106 4.143 4.340 -0.152 0.000 0.211 67 L C 2.057 178.800 176.870 -0.211 0.000 1.107 67 L CA 1.660 56.364 54.840 -0.226 0.000 0.783 67 L CB -0.827 41.204 42.059 -0.047 0.000 0.919 67 L HN 0.408 nan 8.230 nan 0.000 0.442 68 T N -6.305 108.166 114.554 -0.138 0.000 2.969 68 T HA 0.112 4.371 4.350 -0.152 0.000 0.258 68 T C 0.897 175.522 174.700 -0.126 0.000 0.962 68 T CA -0.120 61.913 62.100 -0.113 0.000 0.903 68 T CB 0.493 69.336 68.868 -0.040 0.000 1.177 68 T HN 0.270 nan 8.240 nan 0.000 0.511 69 Q N -0.104 119.640 119.800 -0.092 0.000 2.416 69 Q HA -0.200 4.049 4.340 -0.152 0.000 0.235 69 Q C -0.086 175.958 176.000 0.072 0.000 0.773 69 Q CA 1.216 57.012 55.803 -0.012 0.000 1.286 69 Q CB -1.546 27.057 28.738 -0.226 0.000 1.556 69 Q HN 0.701 nan 8.270 nan 0.000 0.650 70 K N 1.813 122.250 120.400 0.061 0.000 2.206 70 K HA 0.371 4.600 4.320 -0.152 0.000 0.264 70 K C -2.482 174.176 176.600 0.097 0.000 0.967 70 K CA -2.257 54.070 56.287 0.067 0.000 0.844 70 K CB 1.344 33.866 32.500 0.037 0.000 1.099 70 K HN -0.213 nan 8.250 nan 0.000 0.441 71 P HA 0.029 nan 4.420 nan 0.000 0.267 71 P C -0.110 177.261 177.300 0.119 0.000 1.209 71 P CA -0.093 63.078 63.100 0.118 0.000 0.763 71 P CB 0.810 32.577 31.700 0.110 0.000 0.816 72 G N 4.154 113.034 108.800 0.133 0.000 2.441 72 G HA2 0.324 4.192 3.960 -0.152 0.000 0.243 72 G HA3 0.324 4.192 3.960 -0.152 0.000 0.243 72 G C -0.210 174.793 174.900 0.171 0.000 1.281 72 G CA -0.399 44.804 45.100 0.172 0.000 0.854 72 G HN 0.415 nan 8.290 nan 0.000 0.560 73 I N 1.104 121.798 120.570 0.208 0.000 2.339 73 I HA 0.260 4.339 4.170 -0.152 0.000 0.290 73 I C -0.023 176.218 176.117 0.208 0.000 0.994 73 I CA -1.004 60.397 61.300 0.168 0.000 1.191 73 I CB 0.892 38.961 38.000 0.114 0.000 1.343 73 I HN 0.397 nan 8.210 nan 0.000 0.458 74 C N 8.259 127.654 119.300 0.157 0.000 2.345 74 C HA 0.714 5.083 4.460 -0.152 0.000 0.323 74 C C -0.498 174.577 174.990 0.142 0.000 1.276 74 C CA -0.524 58.571 59.018 0.130 0.000 1.543 74 C CB 0.729 28.500 27.740 0.051 0.000 2.211 74 C HN 0.687 nan 8.230 nan 0.000 0.493 75 L N 6.861 128.182 121.223 0.163 0.000 2.313 75 L HA 0.832 5.081 4.340 -0.152 0.000 0.283 75 L C 0.329 177.306 176.870 0.178 0.000 1.013 75 L CA 0.596 55.547 54.840 0.185 0.000 0.816 75 L CB 1.906 44.103 42.059 0.231 0.000 1.236 75 L HN 0.960 nan 8.230 nan 0.000 0.419 76 T N 1.922 116.581 114.554 0.176 0.000 2.865 76 T HA 0.724 4.983 4.350 -0.152 0.000 0.294 76 T C 0.185 174.987 174.700 0.170 0.000 1.119 76 T CA -0.141 62.055 62.100 0.159 0.000 1.007 76 T CB 1.059 70.010 68.868 0.138 0.000 1.225 76 T HN 0.704 nan 8.240 nan 0.000 0.515 77 V N 0.382 120.385 119.914 0.148 0.000 3.709 77 V HA 0.666 4.695 4.120 -0.152 0.000 0.276 77 V C 0.989 177.189 176.094 0.177 0.000 0.967 77 V CA -0.029 62.360 62.300 0.149 0.000 0.944 77 V CB -0.203 31.697 31.823 0.127 0.000 1.243 77 V HN 1.292 nan 8.190 nan 0.000 0.413 78 S N 0.007 115.797 115.700 0.149 0.000 2.596 78 S HA 0.533 4.911 4.470 -0.152 0.000 0.262 78 S C 1.651 176.317 174.600 0.110 0.000 1.218 78 S CA 0.019 58.290 58.200 0.117 0.000 0.998 78 S CB -0.095 63.168 63.200 0.105 0.000 1.060 78 S HN 1.879 nan 8.310 nan 0.000 0.552 79 A N 2.417 125.266 122.820 0.048 0.000 1.865 79 A HA -0.233 3.996 4.320 -0.152 0.000 0.244 79 A C 0.259 177.920 177.584 0.128 0.000 1.984 79 A CA 2.671 54.760 52.037 0.086 0.000 0.785 79 A CB -2.789 16.211 19.000 -0.001 0.000 0.849 79 A HN 0.812 nan 8.150 nan 0.000 0.501 80 P HA -0.118 nan 4.420 nan 0.000 0.215 80 P C 1.721 179.013 177.300 -0.013 0.000 1.153 80 P CA 2.077 65.172 63.100 -0.007 0.000 0.853 80 P CB -0.632 31.038 31.700 -0.050 0.000 0.788 81 G N -0.630 108.179 108.800 0.015 0.000 2.394 81 G HA2 -0.245 3.623 3.960 -0.152 0.000 0.215 81 G HA3 -0.245 3.623 3.960 -0.152 0.000 0.215 81 G C 1.436 176.345 174.900 0.016 0.000 1.165 81 G CA 0.343 45.440 45.100 -0.005 0.000 0.784 81 G HN 0.196 nan 8.290 nan 0.000 0.535 82 F N 1.359 121.287 119.950 -0.037 0.000 2.087 82 F HA -0.126 4.311 4.527 -0.151 0.000 0.299 82 F C 2.326 178.064 175.800 -0.103 0.000 1.100 82 F CA 1.550 59.518 58.000 -0.053 0.000 1.226 82 F CB -0.286 38.687 39.000 -0.045 0.000 0.983 82 F HN 0.060 nan 8.300 nan 0.000 0.479 83 L N 0.194 121.282 121.223 -0.226 0.000 2.083 83 L HA -0.247 4.002 4.340 -0.152 0.000 0.209 83 L C 2.271 178.945 176.870 -0.328 0.000 1.083 83 L CA 1.218 55.846 54.840 -0.354 0.000 0.752 83 L CB -0.783 41.229 42.059 -0.078 0.000 0.899 83 L HN 0.216 nan 8.230 nan 0.000 0.433 84 N N 0.298 118.869 118.700 -0.215 0.000 2.084 84 N HA -0.136 4.512 4.740 -0.152 0.000 0.190 84 N C 1.816 177.199 175.510 -0.212 0.000 1.030 84 N CA 1.574 54.535 53.050 -0.149 0.000 0.849 84 N CB -0.654 37.716 38.487 -0.195 0.000 1.012 84 N HN 0.328 nan 8.380 nan 0.000 0.423 85 G N 1.063 109.703 108.800 -0.267 0.000 2.422 85 G HA2 -0.187 3.682 3.960 -0.152 0.000 0.218 85 G HA3 -0.187 3.682 3.960 -0.152 0.000 0.218 85 G C 1.573 176.260 174.900 -0.356 0.000 1.146 85 G CA 0.421 45.355 45.100 -0.276 0.000 0.769 85 G HN 0.251 nan 8.290 nan 0.000 0.547 86 L N 1.884 122.777 121.223 -0.551 0.000 2.079 86 L HA -0.094 4.155 4.340 -0.152 0.000 0.210 86 L C 3.180 179.817 176.870 -0.389 0.000 1.081 86 L CA 2.741 57.237 54.840 -0.575 0.000 0.752 86 L CB -1.011 40.528 42.059 -0.867 0.000 0.896 86 L HN 0.393 nan 8.230 nan 0.000 0.433 87 T N -3.072 111.279 114.554 -0.338 0.000 2.720 87 T HA -0.204 4.055 4.350 -0.152 0.000 0.268 87 T C 1.872 176.503 174.700 -0.115 0.000 1.037 87 T CA 1.323 63.293 62.100 -0.216 0.000 1.144 87 T CB -0.906 67.868 68.868 -0.158 0.000 0.864 87 T HN 0.383 nan 8.240 nan 0.000 0.444 88 A N 1.161 123.830 122.820 -0.251 0.000 1.929 88 A HA 0.252 4.481 4.320 -0.152 0.000 0.216 88 A C 2.320 179.880 177.584 -0.040 0.000 1.176 88 A CA 1.249 53.139 52.037 -0.246 0.000 0.628 88 A CB -0.857 17.756 19.000 -0.646 0.000 0.816 88 A HN 0.465 nan 8.150 nan 0.000 0.444 89 L N -0.013 121.156 121.223 -0.089 0.000 2.042 89 L HA -0.124 4.124 4.340 -0.152 0.000 0.210 89 L C 2.723 179.600 176.870 0.011 0.000 1.076 89 L CA 2.143 56.972 54.840 -0.019 0.000 0.749 89 L CB -0.722 41.315 42.059 -0.036 0.000 0.893 89 L HN 0.362 nan 8.230 nan 0.000 0.432 90 A N -0.622 122.200 122.820 0.004 0.000 1.892 90 A HA -0.322 3.907 4.320 -0.152 0.000 0.218 90 A C 2.308 179.839 177.584 -0.089 0.000 1.188 90 A CA 2.237 54.307 52.037 0.055 0.000 0.631 90 A CB -1.089 17.992 19.000 0.136 0.000 0.822 90 A HN 0.693 nan 8.150 nan 0.000 0.447 91 N N -0.088 118.644 118.700 0.053 0.000 2.120 91 N HA -0.127 4.522 4.740 -0.152 0.000 0.188 91 N C 1.975 177.423 175.510 -0.103 0.000 1.024 91 N CA 1.246 54.307 53.050 0.019 0.000 0.852 91 N CB -0.194 38.469 38.487 0.293 0.000 1.003 91 N HN 0.413 nan 8.380 nan 0.000 0.424 92 A N 0.369 123.197 122.820 0.013 0.000 1.883 92 A HA -0.131 4.098 4.320 -0.152 0.000 0.217 92 A C 2.321 179.811 177.584 -0.156 0.000 1.186 92 A CA 2.059 54.099 52.037 0.005 0.000 0.624 92 A CB -1.096 17.985 19.000 0.135 0.000 0.822 92 A HN 0.375 nan 8.150 nan 0.000 0.444 93 T N -0.417 114.053 114.554 -0.141 0.000 2.777 93 T HA -0.101 4.158 4.350 -0.152 0.000 0.266 93 T C 1.882 176.404 174.700 -0.295 0.000 1.040 93 T CA 1.459 63.457 62.100 -0.170 0.000 1.141 93 T CB -0.436 68.368 68.868 -0.107 0.000 0.868 93 T HN 0.148 nan 8.240 nan 0.000 0.444 94 V N 2.182 121.828 119.914 -0.447 0.000 2.332 94 V HA -0.214 3.815 4.120 -0.152 0.000 0.248 94 V C 2.091 177.891 176.094 -0.490 0.000 1.055 94 V CA 1.886 63.834 62.300 -0.586 0.000 1.038 94 V CB -0.698 30.475 31.823 -1.083 0.000 0.651 94 V HN 0.492 nan 8.190 nan 0.000 0.450 95 N N -0.320 118.029 118.700 -0.585 0.000 2.457 95 N HA 0.158 4.807 4.740 -0.152 0.000 0.180 95 N C 1.187 176.262 175.510 -0.724 0.000 1.050 95 N CA 0.891 53.460 53.050 -0.801 0.000 0.906 95 N CB 0.254 37.853 38.487 -1.480 0.000 0.968 95 N HN 0.567 nan 8.380 nan 0.000 0.445 96 G N -0.313 108.191 108.800 -0.493 0.000 2.171 96 G HA2 -0.224 3.645 3.960 -0.152 0.000 0.238 96 G HA3 -0.224 3.645 3.960 -0.152 0.000 0.238 96 G C -0.635 174.199 174.900 -0.110 0.000 1.039 96 G CA -0.496 44.441 45.100 -0.272 0.000 0.759 96 G HN 0.122 nan 8.290 nan 0.000 0.501 97 F N 1.237 121.109 119.950 -0.131 0.000 2.420 97 F HA 0.509 4.946 4.527 -0.151 0.000 0.342 97 F C -1.539 174.239 175.800 -0.035 0.000 1.113 97 F CA -3.734 54.220 58.000 -0.076 0.000 1.059 97 F CB 1.596 40.590 39.000 -0.010 0.000 1.128 97 F HN -0.083 nan 8.300 nan 0.000 0.475 98 P HA 0.375 nan 4.420 nan 0.000 0.281 98 P C -0.870 176.521 177.300 0.153 0.000 1.252 98 P CA -0.212 62.973 63.100 0.142 0.000 0.778 98 P CB 1.304 33.100 31.700 0.161 0.000 0.895 99 M N 1.845 121.526 119.600 0.133 0.000 2.643 99 M HA 0.587 4.975 4.480 -0.152 0.000 0.276 99 M C -1.904 174.471 176.300 0.126 0.000 1.200 99 M CA -0.935 54.442 55.300 0.130 0.000 0.863 99 M CB 1.897 34.574 32.600 0.128 0.000 1.711 99 M HN -0.027 nan 8.290 nan 0.000 0.492 100 I N 2.440 123.087 120.570 0.129 0.000 2.418 100 I HA 0.474 4.552 4.170 -0.152 0.000 0.287 100 I C -0.922 175.284 176.117 0.147 0.000 1.008 100 I CA -0.601 60.782 61.300 0.137 0.000 1.104 100 I CB 2.146 40.219 38.000 0.122 0.000 1.264 100 I HN 0.829 nan 8.210 nan 0.000 0.438 101 M N 7.701 127.414 119.600 0.188 0.000 2.113 101 M HA 0.539 4.928 4.480 -0.152 0.000 0.352 101 M C -1.339 175.115 176.300 0.256 0.000 1.170 101 M CA -0.244 55.189 55.300 0.221 0.000 1.053 101 M CB 0.740 33.481 32.600 0.235 0.000 1.601 101 M HN 0.483 nan 8.290 nan 0.000 0.459 102 I N 4.079 124.763 120.570 0.191 0.000 2.339 102 I HA 0.336 4.414 4.170 -0.152 0.000 0.290 102 I C -0.506 175.738 176.117 0.211 0.000 0.994 102 I CA -0.349 61.029 61.300 0.130 0.000 1.191 102 I CB 1.766 39.820 38.000 0.091 0.000 1.343 102 I HN 0.648 nan 8.210 nan 0.000 0.458 103 S N 3.633 119.485 115.700 0.253 0.000 2.521 103 S HA 0.560 4.939 4.470 -0.152 0.000 0.295 103 S C 0.208 174.921 174.600 0.188 0.000 1.098 103 S CA -0.757 57.636 58.200 0.322 0.000 0.999 103 S CB 1.935 65.505 63.200 0.617 0.000 1.034 103 S HN 0.802 nan 8.310 nan 0.000 0.483 104 G N 1.817 110.709 108.800 0.153 0.000 2.491 104 G HA2 0.444 4.313 3.960 -0.152 0.000 0.238 104 G HA3 0.444 4.313 3.960 -0.152 0.000 0.238 104 G C 0.056 175.020 174.900 0.105 0.000 1.277 104 G CA -0.122 45.043 45.100 0.108 0.000 0.851 104 G HN 0.825 nan 8.290 nan 0.000 0.573 105 S N 0.156 115.898 115.700 0.070 0.000 2.732 105 S HA 0.800 5.179 4.470 -0.152 0.000 0.293 105 S C 0.230 174.866 174.600 0.059 0.000 1.159 105 S CA -0.527 57.702 58.200 0.048 0.000 0.847 105 S CB 1.785 64.991 63.200 0.010 0.000 1.169 105 S HN 0.599 nan 8.310 nan 0.000 0.501 106 S N 0.348 116.083 115.700 0.058 0.000 2.337 106 S HA 0.423 4.802 4.470 -0.152 0.000 0.258 106 S C -0.590 174.037 174.600 0.045 0.000 1.178 106 S CA -0.436 57.812 58.200 0.080 0.000 1.023 106 S CB -0.236 63.037 63.200 0.122 0.000 1.136 106 S HN 0.865 nan 8.310 nan 0.000 0.458 107 D N 0.719 121.144 120.400 0.042 0.000 2.347 107 D HA 0.201 4.750 4.640 -0.152 0.000 0.235 107 D C 0.951 177.263 176.300 0.020 0.000 1.149 107 D CA -0.280 53.735 54.000 0.026 0.000 0.850 107 D CB 0.571 41.385 40.800 0.024 0.000 1.061 107 D HN 0.202 nan 8.370 nan 0.000 0.487 108 R N 3.035 123.544 120.500 0.015 0.000 2.117 108 R HA -0.166 4.083 4.340 -0.152 0.000 0.243 108 R C 1.647 177.953 176.300 0.011 0.000 1.143 108 R CA 1.336 57.444 56.100 0.012 0.000 0.968 108 R CB -0.556 29.751 30.300 0.011 0.000 0.863 108 R HN 0.535 nan 8.270 nan 0.000 0.444 109 A N 1.034 123.860 122.820 0.011 0.000 1.898 109 A HA -0.073 4.155 4.320 -0.152 0.000 0.216 109 A C 2.273 179.864 177.584 0.012 0.000 1.181 109 A CA 0.983 53.026 52.037 0.010 0.000 0.620 109 A CB -0.338 18.667 19.000 0.009 0.000 0.819 109 A HN 0.172 nan 8.150 nan 0.000 0.442 110 I N -0.477 120.102 120.570 0.015 0.000 2.233 110 I HA -0.161 3.918 4.170 -0.152 0.000 0.243 110 I C 2.289 178.416 176.117 0.016 0.000 1.093 110 I CA 0.912 62.222 61.300 0.017 0.000 1.380 110 I CB -0.386 37.629 38.000 0.025 0.000 1.067 110 I HN 0.122 nan 8.210 nan 0.000 0.413 111 V N 0.770 120.693 119.914 0.016 0.000 2.343 111 V HA -0.286 3.743 4.120 -0.152 0.000 0.247 111 V C 1.995 178.093 176.094 0.006 0.000 1.051 111 V CA 1.936 64.242 62.300 0.010 0.000 1.036 111 V CB -0.675 31.151 31.823 0.005 0.000 0.654 111 V HN 0.375 nan 8.190 nan 0.000 0.451 112 D N -0.138 120.267 120.400 0.007 0.000 2.263 112 D HA -0.069 4.479 4.640 -0.152 0.000 0.208 112 D C 1.743 178.047 176.300 0.007 0.000 0.971 112 D CA 1.055 55.059 54.000 0.007 0.000 0.867 112 D CB -0.026 40.779 40.800 0.008 0.000 0.929 112 D HN 0.362 nan 8.370 nan 0.000 0.492 113 L N -0.246 120.982 121.223 0.008 0.000 2.607 113 L HA 0.135 4.384 4.340 -0.152 0.000 0.228 113 L C 0.164 177.038 176.870 0.008 0.000 1.123 113 L CA 0.046 54.891 54.840 0.008 0.000 0.890 113 L CB 0.062 42.126 42.059 0.008 0.000 1.103 113 L HN -0.091 nan 8.230 nan 0.000 0.468 114 Q N 0.577 120.381 119.800 0.007 0.000 2.451 114 Q HA -0.287 3.962 4.340 -0.152 0.000 0.305 114 Q C 0.632 176.637 176.000 0.008 0.000 1.345 114 Q CA 0.409 56.216 55.803 0.007 0.000 0.854 114 Q CB -1.175 27.567 28.738 0.005 0.000 1.162 114 Q HN 0.595 nan 8.270 nan 0.000 0.440 115 Q N -0.766 119.041 119.800 0.011 0.000 2.360 115 Q HA 0.195 4.444 4.340 -0.152 0.000 0.202 115 Q C 0.986 176.996 176.000 0.016 0.000 0.915 115 Q CA 0.483 56.293 55.803 0.013 0.000 0.943 115 Q CB 0.842 29.588 28.738 0.014 0.000 1.064 115 Q HN 0.636 nan 8.270 nan 0.000 0.511 116 G N 2.132 110.942 108.800 0.016 0.000 2.325 116 G HA2 -0.191 3.678 3.960 -0.152 0.000 0.248 116 G HA3 -0.191 3.678 3.960 -0.152 0.000 0.248 116 G C -0.501 174.418 174.900 0.032 0.000 1.108 116 G CA -0.121 44.990 45.100 0.017 0.000 0.881 116 G HN 0.276 nan 8.290 nan 0.000 0.494 117 D N -0.931 119.492 120.400 0.038 0.000 2.362 117 D HA 0.220 4.769 4.640 -0.152 0.000 0.238 117 D C 0.901 177.258 176.300 0.096 0.000 1.212 117 D CA -0.209 53.834 54.000 0.071 0.000 0.902 117 D CB 0.233 41.073 40.800 0.067 0.000 1.180 117 D HN 0.323 nan 8.370 nan 0.000 0.445 118 Y N 1.914 122.217 120.300 0.004 0.000 2.802 118 Y HA -0.090 4.369 4.550 -0.152 0.000 0.333 118 Y C 0.722 176.626 175.900 0.007 0.000 1.244 118 Y CA 0.695 58.799 58.100 0.006 0.000 1.558 118 Y CB -0.176 38.288 38.460 0.007 0.000 1.233 118 Y HN 0.538 nan 8.280 nan 0.000 0.547 119 E N 2.950 122.944 120.200 -0.343 0.000 2.228 119 E HA -0.366 3.893 4.350 -0.152 0.000 0.213 119 E C -0.392 176.165 176.600 -0.070 0.000 1.282 119 E CA 0.860 57.112 56.400 -0.245 0.000 0.707 119 E CB -0.871 28.632 29.700 -0.328 0.000 1.150 119 E HN 0.741 nan 8.360 nan 0.000 0.362 120 E N 1.264 121.437 120.200 -0.046 0.000 2.257 120 E HA 0.360 4.619 4.350 -0.152 0.000 0.278 120 E C -0.760 175.822 176.600 -0.030 0.000 1.049 120 E CA -0.347 56.042 56.400 -0.018 0.000 0.876 120 E CB 0.604 30.301 29.700 -0.005 0.000 1.035 120 E HN 0.219 nan 8.360 nan 0.000 0.419 121 L N 4.511 125.707 121.223 -0.046 0.000 2.643 121 L HA 0.202 4.451 4.340 -0.152 0.000 0.257 121 L C -1.651 175.162 176.870 -0.095 0.000 0.922 121 L CA -0.611 54.191 54.840 -0.063 0.000 0.909 121 L CB 2.064 44.079 42.059 -0.073 0.000 1.424 121 L HN 0.496 nan 8.230 nan 0.000 0.422 122 D N 3.060 123.420 120.400 -0.067 0.000 2.455 122 D HA 0.134 4.682 4.640 -0.152 0.000 0.234 122 D C 0.708 176.930 176.300 -0.130 0.000 1.224 122 D CA 0.270 54.230 54.000 -0.067 0.000 0.999 122 D CB 0.763 41.550 40.800 -0.021 0.000 1.072 122 D HN 0.679 nan 8.370 nan 0.000 0.514 123 Q N 2.316 121.945 119.800 -0.286 0.000 2.167 123 Q HA -0.146 4.103 4.340 -0.152 0.000 0.202 123 Q C 1.928 177.754 176.000 -0.290 0.000 0.970 123 Q CA 0.891 56.264 55.803 -0.716 0.000 0.855 123 Q CB 0.175 28.182 28.738 -1.217 0.000 0.911 123 Q HN 0.569 nan 8.270 nan 0.000 0.438 124 M N 0.739 120.375 119.600 0.061 0.000 2.086 124 M HA -0.170 4.219 4.480 -0.152 0.000 0.261 124 M C 1.303 177.680 176.300 0.128 0.000 1.067 124 M CA 1.419 56.867 55.300 0.246 0.000 1.116 124 M CB 0.049 32.744 32.600 0.158 0.000 1.348 124 M HN 0.165 nan 8.290 nan 0.000 0.407 125 N N 0.637 119.371 118.700 0.058 0.000 2.331 125 N HA -0.031 4.618 4.740 -0.152 0.000 0.180 125 N C 1.652 177.203 175.510 0.067 0.000 1.019 125 N CA 1.298 54.376 53.050 0.047 0.000 0.881 125 N CB -0.262 38.242 38.487 0.027 0.000 0.972 125 N HN 0.433 nan 8.380 nan 0.000 0.435 126 A N 1.068 123.938 122.820 0.083 0.000 1.933 126 A HA 0.001 4.230 4.320 -0.152 0.000 0.218 126 A C 2.303 180.047 177.584 0.267 0.000 1.175 126 A CA 1.796 53.942 52.037 0.182 0.000 0.628 126 A CB -0.488 18.662 19.000 0.251 0.000 0.814 126 A HN 0.309 nan 8.150 nan 0.000 0.444 127 A N -0.608 122.350 122.820 0.230 0.000 2.016 127 A HA 0.003 4.231 4.320 -0.152 0.000 0.217 127 A C 2.003 179.683 177.584 0.160 0.000 1.162 127 A CA 1.279 53.440 52.037 0.206 0.000 0.662 127 A CB -0.307 18.727 19.000 0.057 0.000 0.812 127 A HN 0.499 nan 8.150 nan 0.000 0.450 128 K N -0.252 120.196 120.400 0.080 0.000 2.059 128 K HA -0.169 4.060 4.320 -0.152 0.000 0.212 128 K C -0.796 175.740 176.600 -0.106 0.000 1.050 128 K CA 1.945 58.226 56.287 -0.010 0.000 0.927 128 K CB -1.149 31.337 32.500 -0.025 0.000 0.714 128 K HN 0.355 nan 8.250 nan 0.000 0.447 129 P HA -0.136 nan 4.420 nan 0.000 0.225 129 P C 0.270 177.189 177.300 -0.635 0.000 1.148 129 P CA 1.261 64.053 63.100 -0.514 0.000 0.779 129 P CB 0.055 31.270 31.700 -0.809 0.000 0.780 130 Y N -1.949 118.346 120.300 -0.008 0.000 2.531 130 Y HA 0.575 5.033 4.550 -0.152 0.000 0.249 130 Y C 0.900 176.775 175.900 -0.042 0.000 1.168 130 Y CA -0.592 57.493 58.100 -0.024 0.000 1.226 130 Y CB 0.160 38.612 38.460 -0.014 0.000 1.177 130 Y HN -0.170 nan 8.280 nan 0.000 0.527 131 A N -0.263 122.585 122.820 0.046 0.000 2.498 131 A HA 0.489 4.718 4.320 -0.152 0.000 0.298 131 A C 0.608 178.180 177.584 -0.019 0.000 1.075 131 A CA -0.784 51.276 52.037 0.037 0.000 0.714 131 A CB 1.497 20.548 19.000 0.086 0.000 1.299 131 A HN 0.160 nan 8.150 nan 0.000 0.407 132 K N 0.013 120.402 120.400 -0.017 0.000 2.147 132 K HA 0.135 4.364 4.320 -0.152 0.000 0.205 132 K C 0.660 177.217 176.600 -0.071 0.000 1.049 132 K CA 1.703 57.970 56.287 -0.033 0.000 0.936 132 K CB -0.038 32.459 32.500 -0.005 0.000 0.722 132 K HN 0.842 nan 8.250 nan 0.000 0.446 133 A N -0.064 122.684 122.820 -0.119 0.000 2.604 133 A HA 0.698 4.927 4.320 -0.152 0.000 0.295 133 A C -1.827 175.529 177.584 -0.380 0.000 1.067 133 A CA -0.652 51.182 52.037 -0.338 0.000 0.683 133 A CB 1.828 20.520 19.000 -0.515 0.000 1.281 133 A HN 0.062 nan 8.150 nan 0.000 0.407 134 A N 0.993 123.522 122.820 -0.484 0.000 2.353 134 A HA 0.808 5.037 4.320 -0.152 0.000 0.299 134 A C -1.384 175.959 177.584 -0.402 0.000 1.089 134 A CA -0.303 51.601 52.037 -0.222 0.000 0.736 134 A CB 0.291 19.358 19.000 0.111 0.000 1.195 134 A HN 0.835 nan 8.150 nan 0.000 0.447 135 F N 0.759 120.717 119.950 0.013 0.000 2.522 135 F HA 0.776 5.211 4.527 -0.152 0.000 0.324 135 F C 0.498 176.241 175.800 -0.096 0.000 1.077 135 F CA -0.594 57.388 58.000 -0.031 0.000 0.944 135 F CB 2.186 41.163 39.000 -0.038 0.000 1.175 135 F HN 0.644 nan 8.300 nan 0.000 0.468 136 R N 1.271 121.857 120.500 0.143 0.000 2.575 136 R HA 0.783 5.032 4.340 -0.152 0.000 0.293 136 R C -2.234 174.090 176.300 0.041 0.000 0.983 136 R CA -0.602 55.523 56.100 0.041 0.000 0.887 136 R CB 1.824 32.148 30.300 0.040 0.000 1.184 136 R HN 0.552 nan 8.270 nan 0.000 0.445 137 V N 4.902 124.821 119.914 0.008 0.000 2.334 137 V HA 0.239 4.267 4.120 -0.152 0.000 0.281 137 V C 0.055 176.150 176.094 0.003 0.000 1.016 137 V CA -0.585 61.717 62.300 0.002 0.000 0.832 137 V CB 1.393 33.209 31.823 -0.012 0.000 0.999 137 V HN 0.903 nan 8.190 nan 0.000 0.439 138 N N 2.385 121.088 118.700 0.005 0.000 2.388 138 N HA 0.102 4.751 4.740 -0.152 0.000 0.176 138 N C 0.193 175.704 175.510 0.002 0.000 1.062 138 N CA 0.233 53.287 53.050 0.006 0.000 0.895 138 N CB 0.419 38.911 38.487 0.009 0.000 1.018 138 N HN 0.711 nan 8.380 nan 0.000 0.456 139 Q N 0.154 119.954 119.800 -0.001 0.000 2.340 139 Q HA 0.280 4.529 4.340 -0.152 0.000 0.268 139 Q C -2.044 173.953 176.000 -0.004 0.000 1.031 139 Q CA -2.067 53.734 55.803 -0.002 0.000 0.804 139 Q CB 2.383 31.119 28.738 -0.004 0.000 1.286 139 Q HN 0.001 nan 8.270 nan 0.000 0.448 140 P HA -0.237 nan 4.420 nan 0.000 0.221 140 P C 1.029 178.328 177.300 -0.002 0.000 1.150 140 P CA 1.264 64.365 63.100 0.001 0.000 0.800 140 P CB 0.305 32.007 31.700 0.004 0.000 0.787 141 Q N -0.201 119.596 119.800 -0.005 0.000 2.437 141 Q HA -0.127 4.122 4.340 -0.152 0.000 0.210 141 Q C 0.479 176.470 176.000 -0.015 0.000 0.972 141 Q CA 1.319 57.117 55.803 -0.008 0.000 0.903 141 Q CB -0.816 27.917 28.738 -0.009 0.000 0.967 141 Q HN 0.234 nan 8.270 nan 0.000 0.486 142 D N 0.514 120.903 120.400 -0.018 0.000 2.349 142 D HA 0.167 4.716 4.640 -0.152 0.000 0.214 142 D C 1.860 178.137 176.300 -0.038 0.000 1.063 142 D CA -0.052 53.930 54.000 -0.031 0.000 0.847 142 D CB 0.190 40.972 40.800 -0.031 0.000 0.933 142 D HN 0.196 nan 8.370 nan 0.000 0.513 143 L N 0.680 121.888 121.223 -0.023 0.000 2.042 143 L HA -0.100 4.149 4.340 -0.152 0.000 0.210 143 L C 2.519 179.371 176.870 -0.030 0.000 1.076 143 L CA 1.644 56.471 54.840 -0.022 0.000 0.749 143 L CB -0.586 41.471 42.059 -0.003 0.000 0.893 143 L HN 0.100 nan 8.230 nan 0.000 0.432 144 G N -0.032 108.753 108.800 -0.024 0.000 2.421 144 G HA2 -0.283 3.586 3.960 -0.152 0.000 0.216 144 G HA3 -0.283 3.586 3.960 -0.152 0.000 0.216 144 G C 1.545 176.417 174.900 -0.046 0.000 1.171 144 G CA 0.812 45.897 45.100 -0.025 0.000 0.775 144 G HN 0.252 nan 8.290 nan 0.000 0.543 145 I N 1.593 122.127 120.570 -0.059 0.000 2.315 145 I HA 0.038 4.117 4.170 -0.152 0.000 0.248 145 I C 2.969 179.000 176.117 -0.144 0.000 1.117 145 I CA 1.206 62.454 61.300 -0.087 0.000 1.404 145 I CB -0.279 37.673 38.000 -0.081 0.000 1.071 145 I HN 0.188 nan 8.210 nan 0.000 0.419 146 A N 0.061 122.790 122.820 -0.151 0.000 1.877 146 A HA -0.216 4.012 4.320 -0.152 0.000 0.216 146 A C 2.251 179.728 177.584 -0.178 0.000 1.186 146 A CA 2.001 53.901 52.037 -0.229 0.000 0.620 146 A CB -1.147 17.767 19.000 -0.144 0.000 0.822 146 A HN 0.483 nan 8.150 nan 0.000 0.443 147 L N -0.294 120.878 121.223 -0.085 0.000 2.083 147 L HA -0.045 4.204 4.340 -0.152 0.000 0.209 147 L C 2.662 179.509 176.870 -0.038 0.000 1.083 147 L CA 2.084 56.901 54.840 -0.037 0.000 0.752 147 L CB -0.733 41.319 42.059 -0.011 0.000 0.899 147 L HN 0.351 nan 8.230 nan 0.000 0.433 148 A N -0.289 122.496 122.820 -0.059 0.000 1.883 148 A HA -0.232 3.997 4.320 -0.152 0.000 0.217 148 A C 2.410 179.959 177.584 -0.058 0.000 1.186 148 A CA 1.861 53.870 52.037 -0.047 0.000 0.624 148 A CB -0.563 18.405 19.000 -0.053 0.000 0.822 148 A HN 0.502 nan 8.150 nan 0.000 0.444 149 R N -0.656 119.759 120.500 -0.142 0.000 2.073 149 R HA -0.125 4.124 4.340 -0.152 0.000 0.234 149 R C 2.539 178.833 176.300 -0.009 0.000 1.134 149 R CA 1.341 57.333 56.100 -0.180 0.000 0.952 149 R CB -0.627 29.313 30.300 -0.600 0.000 0.850 149 R HN 0.527 nan 8.270 nan 0.000 0.433 150 A N 1.464 124.292 122.820 0.014 0.000 1.877 150 A HA -0.155 4.073 4.320 -0.152 0.000 0.216 150 A C 2.225 179.890 177.584 0.136 0.000 1.186 150 A CA 1.277 53.430 52.037 0.193 0.000 0.620 150 A CB -0.540 18.559 19.000 0.165 0.000 0.822 150 A HN 0.181 nan 8.150 nan 0.000 0.443 151 I N -0.909 119.708 120.570 0.077 0.000 2.127 151 I HA -0.307 3.772 4.170 -0.152 0.000 0.241 151 I C 2.850 179.012 176.117 0.076 0.000 1.075 151 I CA 1.651 62.993 61.300 0.071 0.000 1.334 151 I CB -0.405 37.623 38.000 0.046 0.000 1.040 151 I HN 0.299 nan 8.210 nan 0.000 0.405 152 R N 0.240 120.776 120.500 0.061 0.000 2.073 152 R HA -0.133 4.116 4.340 -0.152 0.000 0.234 152 R C 2.318 178.669 176.300 0.084 0.000 1.134 152 R CA 1.463 57.600 56.100 0.061 0.000 0.952 152 R CB -0.612 29.712 30.300 0.041 0.000 0.850 152 R HN 0.243 nan 8.270 nan 0.000 0.433 153 V N 1.308 121.294 119.914 0.119 0.000 2.332 153 V HA -0.279 3.750 4.120 -0.152 0.000 0.248 153 V C 2.594 178.750 176.094 0.104 0.000 1.055 153 V CA 2.221 64.601 62.300 0.133 0.000 1.038 153 V CB -0.630 31.321 31.823 0.214 0.000 0.651 153 V HN 0.496 nan 8.190 nan 0.000 0.450 154 S N 0.954 116.721 115.700 0.112 0.000 2.382 154 S HA -0.141 4.238 4.470 -0.152 0.000 0.228 154 S C 1.846 176.500 174.600 0.089 0.000 1.027 154 S CA 1.730 59.989 58.200 0.098 0.000 0.991 154 S CB -0.447 62.820 63.200 0.111 0.000 0.823 154 S HN 0.659 nan 8.310 nan 0.000 0.469 155 V N -0.009 119.964 119.914 0.098 0.000 3.565 155 V HA 0.310 4.339 4.120 -0.152 0.000 0.260 155 V C 1.016 177.173 176.094 0.106 0.000 1.231 155 V CA 0.106 62.478 62.300 0.120 0.000 1.100 155 V CB -0.764 31.139 31.823 0.133 0.000 0.807 155 V HN 0.614 nan 8.190 nan 0.000 0.454 156 S N 0.468 116.215 115.700 0.079 0.000 2.645 156 S HA 0.664 5.043 4.470 -0.152 0.000 0.266 156 S C 1.060 175.690 174.600 0.050 0.000 1.258 156 S CA 0.372 58.611 58.200 0.065 0.000 0.990 156 S CB 0.691 63.924 63.200 0.054 0.000 0.967 156 S HN 1.857 nan 8.310 nan 0.000 0.556 157 G N 1.400 110.225 108.800 0.042 0.000 2.614 157 G HA2 -0.345 3.524 3.960 -0.152 0.000 0.303 157 G HA3 -0.345 3.524 3.960 -0.152 0.000 0.303 157 G C -0.072 174.838 174.900 0.017 0.000 1.270 157 G CA 0.442 45.557 45.100 0.025 0.000 0.988 157 G HN 1.120 nan 8.290 nan 0.000 0.551 158 R N 1.678 122.173 120.500 -0.008 0.000 2.296 158 R HA 0.418 4.667 4.340 -0.152 0.000 0.323 158 R C -2.149 174.122 176.300 -0.049 0.000 1.067 158 R CA -1.084 54.993 56.100 -0.038 0.000 0.946 158 R CB 0.377 30.643 30.300 -0.056 0.000 0.991 158 R HN 0.280 nan 8.270 nan 0.000 0.448 159 P HA 0.187 nan 4.420 nan 0.000 0.271 159 P C -0.495 176.768 177.300 -0.060 0.000 1.233 159 P CA -0.072 62.989 63.100 -0.065 0.000 0.789 159 P CB 1.020 32.613 31.700 -0.179 0.000 0.951 160 G N -0.841 107.954 108.800 -0.008 0.000 2.489 160 G HA2 0.525 4.394 3.960 -0.152 0.000 0.305 160 G HA3 0.525 4.394 3.960 -0.152 0.000 0.305 160 G C -1.009 173.915 174.900 0.040 0.000 1.311 160 G CA -0.290 44.804 45.100 -0.009 0.000 0.813 160 G HN 0.590 nan 8.290 nan 0.000 0.480 161 G N -1.238 107.583 108.800 0.035 0.000 2.415 161 G HA2 0.576 4.444 3.960 -0.152 0.000 0.269 161 G HA3 0.576 4.444 3.960 -0.152 0.000 0.269 161 G C -0.704 174.245 174.900 0.083 0.000 1.209 161 G CA -0.130 45.013 45.100 0.071 0.000 0.835 161 G HN 0.995 nan 8.290 nan 0.000 0.534 162 V N 2.124 122.109 119.914 0.119 0.000 2.656 162 V HA 0.345 4.374 4.120 -0.152 0.000 0.307 162 V C -1.152 175.066 176.094 0.206 0.000 1.051 162 V CA -0.932 61.447 62.300 0.132 0.000 0.893 162 V CB 1.805 33.720 31.823 0.152 0.000 0.999 162 V HN 0.712 nan 8.190 nan 0.000 0.426 163 Y N 5.208 125.546 120.300 0.065 0.000 2.328 163 Y HA 0.741 5.199 4.550 -0.152 0.000 0.337 163 Y C -0.895 175.091 175.900 0.143 0.000 1.008 163 Y CA -1.361 56.810 58.100 0.119 0.000 1.129 163 Y CB 1.602 40.153 38.460 0.153 0.000 1.185 163 Y HN 0.558 nan 8.280 nan 0.000 0.476 164 L N 7.465 128.414 121.223 -0.457 0.000 2.316 164 L HA 0.409 4.658 4.340 -0.152 0.000 0.280 164 L C -1.123 175.364 176.870 -0.638 0.000 1.006 164 L CA -0.293 54.318 54.840 -0.382 0.000 0.836 164 L CB 0.956 42.975 42.059 -0.067 0.000 1.221 164 L HN 0.707 nan 8.230 nan 0.000 0.418 165 D N 5.690 125.724 120.400 -0.610 0.000 2.274 165 D HA 0.282 4.831 4.640 -0.152 0.000 0.239 165 D C -1.065 175.162 176.300 -0.121 0.000 1.104 165 D CA -0.227 53.539 54.000 -0.389 0.000 0.840 165 D CB 1.147 41.814 40.800 -0.221 0.000 1.100 165 D HN 0.558 nan 8.370 nan 0.000 0.477 166 L N 5.915 127.110 121.223 -0.047 0.000 2.356 166 L HA 0.323 4.572 4.340 -0.152 0.000 0.264 166 L C -2.259 174.620 176.870 0.015 0.000 1.029 166 L CA -1.875 52.961 54.840 -0.008 0.000 0.897 166 L CB 1.604 43.667 42.059 0.007 0.000 1.256 166 L HN 0.122 nan 8.230 nan 0.000 0.444 167 P HA -0.012 nan 4.420 nan 0.000 0.266 167 P C 0.714 178.026 177.300 0.020 0.000 1.195 167 P CA 0.123 63.235 63.100 0.019 0.000 0.768 167 P CB 1.113 32.821 31.700 0.014 0.000 0.838 168 A N 3.695 126.530 122.820 0.025 0.000 1.958 168 A HA -0.318 3.911 4.320 -0.152 0.000 0.221 168 A C 2.122 179.711 177.584 0.008 0.000 1.178 168 A CA 2.546 54.592 52.037 0.016 0.000 0.642 168 A CB -1.646 17.360 19.000 0.009 0.000 0.816 168 A HN 0.639 nan 8.150 nan 0.000 0.453 169 N N -0.668 118.036 118.700 0.007 0.000 2.166 169 N HA -0.120 4.529 4.740 -0.152 0.000 0.186 169 N C 1.469 176.982 175.510 0.004 0.000 1.019 169 N CA 1.499 54.551 53.050 0.003 0.000 0.856 169 N CB -0.285 38.204 38.487 0.003 0.000 0.993 169 N HN 0.182 nan 8.380 nan 0.000 0.426 170 V N 0.230 120.148 119.914 0.007 0.000 2.548 170 V HA -0.061 3.968 4.120 -0.152 0.000 0.249 170 V C 1.950 178.051 176.094 0.011 0.000 1.055 170 V CA 1.122 63.427 62.300 0.007 0.000 1.065 170 V CB -0.308 31.519 31.823 0.006 0.000 0.681 170 V HN 0.353 nan 8.190 nan 0.000 0.462 171 L N 0.033 121.264 121.223 0.013 0.000 2.083 171 L HA -0.080 4.169 4.340 -0.152 0.000 0.209 171 L C 2.580 179.462 176.870 0.019 0.000 1.083 171 L CA 1.662 56.513 54.840 0.018 0.000 0.752 171 L CB -0.665 41.403 42.059 0.016 0.000 0.899 171 L HN 0.403 nan 8.230 nan 0.000 0.433 172 A N -0.179 122.647 122.820 0.010 0.000 2.132 172 A HA 0.316 4.545 4.320 -0.152 0.000 0.213 172 A C 1.356 178.941 177.584 0.002 0.000 1.154 172 A CA 0.444 52.484 52.037 0.005 0.000 0.753 172 A CB -0.346 18.652 19.000 -0.003 0.000 0.826 172 A HN 0.264 nan 8.150 nan 0.000 0.469 173 A N 1.007 123.828 122.820 0.003 0.000 2.511 173 A HA 0.465 4.694 4.320 -0.152 0.000 0.242 173 A C 0.798 178.379 177.584 -0.004 0.000 1.069 173 A CA 0.641 52.677 52.037 -0.002 0.000 0.763 173 A CB -0.395 18.605 19.000 -0.000 0.000 1.001 173 A HN 0.730 nan 8.150 nan 0.000 0.498 174 T N 0.488 115.035 114.554 -0.012 0.000 2.943 174 T HA 0.752 5.011 4.350 -0.152 0.000 0.284 174 T C -0.190 174.500 174.700 -0.017 0.000 1.015 174 T CA -0.362 61.727 62.100 -0.020 0.000 1.042 174 T CB 1.162 70.012 68.868 -0.030 0.000 1.055 174 T HN 1.185 nan 8.240 nan 0.000 0.500 175 M N -0.685 118.902 119.600 -0.021 0.000 2.721 175 M HA 0.603 4.991 4.480 -0.152 0.000 0.271 175 M C -0.906 175.379 176.300 -0.024 0.000 1.259 175 M CA -1.116 54.173 55.300 -0.018 0.000 0.835 175 M CB 1.790 34.383 32.600 -0.012 0.000 1.689 175 M HN 0.548 nan 8.290 nan 0.000 0.470 176 E N 1.990 122.178 120.200 -0.020 0.000 2.414 176 E HA 0.016 4.275 4.350 -0.152 0.000 0.263 176 E C 0.012 176.600 176.600 -0.020 0.000 1.000 176 E CA 0.382 56.769 56.400 -0.022 0.000 0.914 176 E CB 1.324 31.015 29.700 -0.016 0.000 0.948 176 E HN 0.794 nan 8.360 nan 0.000 0.444 177 K N 3.726 124.110 120.400 -0.025 0.000 2.026 177 K HA -0.186 4.043 4.320 -0.152 0.000 0.208 177 K C 1.054 177.649 176.600 -0.009 0.000 1.048 177 K CA 1.807 58.081 56.287 -0.021 0.000 0.929 177 K CB 0.139 32.622 32.500 -0.030 0.000 0.713 177 K HN 0.424 nan 8.250 nan 0.000 0.439 178 D N 0.507 120.901 120.400 -0.009 0.000 2.097 178 D HA -0.198 4.351 4.640 -0.152 0.000 0.195 178 D C 1.779 178.077 176.300 -0.004 0.000 0.989 178 D CA 1.187 55.184 54.000 -0.005 0.000 0.827 178 D CB -0.164 40.633 40.800 -0.006 0.000 0.966 178 D HN 0.421 nan 8.370 nan 0.000 0.456 179 E N 0.439 120.636 120.200 -0.006 0.000 2.077 179 E HA -0.159 4.100 4.350 -0.152 0.000 0.193 179 E C 1.986 178.584 176.600 -0.003 0.000 0.989 179 E CA 1.004 57.401 56.400 -0.005 0.000 0.800 179 E CB 0.005 29.701 29.700 -0.007 0.000 0.746 179 E HN 0.168 nan 8.360 nan 0.000 0.452 180 A N 1.040 123.859 122.820 -0.003 0.000 1.908 180 A HA -0.166 4.063 4.320 -0.152 0.000 0.218 180 A C 2.187 179.775 177.584 0.007 0.000 1.181 180 A CA 1.148 53.187 52.037 0.002 0.000 0.627 180 A CB -0.684 18.319 19.000 0.005 0.000 0.818 180 A HN 0.325 nan 8.150 nan 0.000 0.445 181 L N 0.041 121.268 121.223 0.007 0.000 2.131 181 L HA -0.167 4.081 4.340 -0.152 0.000 0.210 181 L C 2.893 179.766 176.870 0.005 0.000 1.092 181 L CA 1.734 56.580 54.840 0.010 0.000 0.759 181 L CB -0.648 41.417 42.059 0.010 0.000 0.903 181 L HN 0.680 nan 8.230 nan 0.000 0.435 182 T N -4.799 109.756 114.554 0.001 0.000 3.072 182 T HA -0.120 4.139 4.350 -0.152 0.000 0.266 182 T C 1.587 176.285 174.700 -0.003 0.000 1.127 182 T CA 1.221 63.320 62.100 -0.001 0.000 1.107 182 T CB -0.518 68.348 68.868 -0.003 0.000 0.910 182 T HN 0.451 nan 8.240 nan 0.000 0.513 183 T N -0.902 113.651 114.554 -0.003 0.000 3.086 183 T HA 0.410 4.669 4.350 -0.152 0.000 0.250 183 T C 0.539 175.235 174.700 -0.007 0.000 1.074 183 T CA -0.567 61.529 62.100 -0.007 0.000 0.988 183 T CB -0.593 68.271 68.868 -0.007 0.000 0.988 183 T HN 0.442 nan 8.240 nan 0.000 0.530 184 I N 2.110 122.679 120.570 -0.002 0.000 2.474 184 I HA 0.354 4.433 4.170 -0.152 0.000 0.287 184 I C -0.534 175.580 176.117 -0.005 0.000 1.048 184 I CA -0.879 60.420 61.300 -0.001 0.000 1.383 184 I CB 1.583 39.588 38.000 0.008 0.000 1.412 184 I HN -0.042 nan 8.210 nan 0.000 0.531 185 V N 6.807 126.716 119.914 -0.009 0.000 2.378 185 V HA 0.262 4.291 4.120 -0.152 0.000 0.288 185 V C 0.005 176.094 176.094 -0.007 0.000 1.016 185 V CA -0.848 61.445 62.300 -0.011 0.000 0.840 185 V CB 1.493 33.304 31.823 -0.021 0.000 0.994 185 V HN 0.602 nan 8.190 nan 0.000 0.431 186 K N 4.334 124.732 120.400 -0.004 0.000 2.264 186 K HA 0.511 4.739 4.320 -0.152 0.000 0.277 186 K C -0.814 175.785 176.600 -0.002 0.000 1.067 186 K CA -0.432 55.854 56.287 -0.001 0.000 0.900 186 K CB 1.280 33.780 32.500 -0.000 0.000 1.124 186 K HN 0.515 nan 8.250 nan 0.000 0.469 187 V N 5.331 125.245 119.914 0.000 0.000 2.427 187 V HA 0.084 4.113 4.120 -0.152 0.000 0.268 187 V C 0.055 176.151 176.094 0.004 0.000 1.046 187 V CA -0.258 62.043 62.300 0.002 0.000 0.970 187 V CB 0.909 32.736 31.823 0.006 0.000 1.001 187 V HN 0.727 nan 8.190 nan 0.000 0.476 188 E N 4.316 124.518 120.200 0.003 0.000 2.197 188 E HA 0.236 4.495 4.350 -0.152 0.000 0.281 188 E C 0.284 176.887 176.600 0.005 0.000 0.995 188 E CA -0.669 55.733 56.400 0.003 0.000 0.808 188 E CB 0.830 30.531 29.700 0.001 0.000 1.093 188 E HN 0.617 nan 8.360 nan 0.000 0.394 189 N N 2.905 121.608 118.700 0.005 0.000 2.667 189 N HA -0.149 4.500 4.740 -0.152 0.000 0.263 189 N C -1.752 173.767 175.510 0.014 0.000 1.038 189 N CA 0.178 53.233 53.050 0.007 0.000 0.749 189 N CB -0.349 38.140 38.487 0.004 0.000 0.892 189 N HN 0.328 nan 8.380 nan 0.000 0.546 190 P HA -0.036 nan 4.420 nan 0.000 0.226 190 P C -0.249 177.074 177.300 0.038 0.000 1.153 190 P CA 0.936 64.054 63.100 0.030 0.000 0.777 190 P CB 0.045 31.767 31.700 0.037 0.000 0.794 191 S N 0.047 115.770 115.700 0.038 0.000 2.399 191 S HA 0.480 4.859 4.470 -0.152 0.000 0.215 191 S C -2.462 172.156 174.600 0.029 0.000 1.456 191 S CA -1.409 56.818 58.200 0.045 0.000 1.199 191 S CB 0.824 64.066 63.200 0.070 0.000 1.063 191 S HN -0.011 nan 8.310 nan 0.000 0.476 192 P HA 0.446 nan 4.420 nan 0.000 0.276 192 P C -0.004 177.304 177.300 0.013 0.000 1.252 192 P CA -0.435 62.673 63.100 0.014 0.000 0.802 192 P CB 0.619 32.326 31.700 0.012 0.000 1.035 193 A N 1.731 124.555 122.820 0.007 0.000 2.531 193 A HA 0.278 4.507 4.320 -0.152 0.000 0.236 193 A C -0.019 177.570 177.584 0.007 0.000 1.062 193 A CA 0.164 52.204 52.037 0.005 0.000 0.760 193 A CB -0.732 18.267 19.000 -0.001 0.000 0.995 193 A HN 0.538 nan 8.150 nan 0.000 0.501 194 L N 2.878 124.106 121.223 0.008 0.000 2.372 194 L HA 0.347 4.596 4.340 -0.152 0.000 0.273 194 L C -1.124 175.748 176.870 0.003 0.000 0.989 194 L CA -0.460 54.385 54.840 0.007 0.000 0.841 194 L CB 1.511 43.577 42.059 0.011 0.000 1.225 194 L HN 0.596 nan 8.230 nan 0.000 0.414 195 L N 5.765 126.988 121.223 0.001 0.000 2.312 195 L HA 0.537 4.785 4.340 -0.152 0.000 0.281 195 L C -1.795 175.074 176.870 -0.001 0.000 1.070 195 L CA -1.297 53.542 54.840 -0.001 0.000 0.805 195 L CB 0.553 42.611 42.059 -0.001 0.000 1.174 195 L HN 0.364 nan 8.230 nan 0.000 0.434 196 P HA 0.005 nan 4.420 nan 0.000 0.274 196 P C -0.429 176.871 177.300 -0.000 0.000 1.231 196 P CA -0.662 62.437 63.100 -0.003 0.000 0.790 196 P CB 0.778 32.473 31.700 -0.008 0.000 0.951 197 C N 4.400 123.701 119.300 0.001 0.000 2.419 197 C HA 0.025 4.394 4.460 -0.152 0.000 0.398 197 C C -0.829 174.164 174.990 0.005 0.000 1.498 197 C CA -0.903 58.117 59.018 0.003 0.000 1.494 197 C CB -1.370 26.372 27.740 0.003 0.000 2.485 197 C HN 0.453 nan 8.230 nan 0.000 0.608 198 P HA -0.129 nan 4.420 nan 0.000 0.217 198 P C 1.300 178.608 177.300 0.013 0.000 1.148 198 P CA 1.798 64.905 63.100 0.011 0.000 0.828 198 P CB -0.011 31.696 31.700 0.011 0.000 0.783 199 K N -0.244 120.163 120.400 0.011 0.000 2.097 199 K HA -0.098 4.131 4.320 -0.152 0.000 0.206 199 K C 2.313 178.920 176.600 0.012 0.000 1.049 199 K CA 1.871 58.165 56.287 0.011 0.000 0.933 199 K CB -0.544 31.961 32.500 0.008 0.000 0.717 199 K HN 0.245 nan 8.250 nan 0.000 0.442 200 S N 0.610 116.316 115.700 0.011 0.000 2.383 200 S HA -0.090 4.289 4.470 -0.152 0.000 0.227 200 S C 2.152 176.762 174.600 0.016 0.000 1.026 200 S CA 0.958 59.165 58.200 0.011 0.000 0.981 200 S CB -0.519 62.686 63.200 0.008 0.000 0.818 200 S HN 0.009 nan 8.310 nan 0.000 0.472 201 V N 2.302 122.225 119.914 0.015 0.000 2.261 201 V HA -0.167 3.862 4.120 -0.152 0.000 0.246 201 V C 2.928 179.046 176.094 0.041 0.000 1.047 201 V CA 2.334 64.648 62.300 0.022 0.000 1.015 201 V CB -1.612 30.221 31.823 0.017 0.000 0.642 201 V HN 0.585 nan 8.190 nan 0.000 0.446 202 T N -0.067 114.509 114.554 0.036 0.000 2.665 202 T HA -0.225 4.033 4.350 -0.152 0.000 0.268 202 T C 2.126 176.846 174.700 0.033 0.000 1.035 202 T CA 2.044 64.168 62.100 0.040 0.000 1.151 202 T CB -0.330 68.555 68.868 0.028 0.000 0.862 202 T HN 0.493 nan 8.240 nan 0.000 0.438 203 S N 1.110 116.824 115.700 0.024 0.000 2.368 203 S HA -0.032 4.347 4.470 -0.152 0.000 0.225 203 S C 2.561 177.173 174.600 0.021 0.000 1.030 203 S CA 0.936 59.145 58.200 0.015 0.000 0.999 203 S CB -0.551 62.656 63.200 0.012 0.000 0.844 203 S HN 0.607 nan 8.310 nan 0.000 0.459 204 A N 1.970 124.812 122.820 0.037 0.000 1.858 204 A HA -0.067 4.162 4.320 -0.152 0.000 0.216 204 A C 2.015 179.650 177.584 0.086 0.000 1.190 204 A CA 1.219 53.290 52.037 0.057 0.000 0.617 204 A CB -0.643 18.390 19.000 0.056 0.000 0.827 204 A HN 0.398 nan 8.150 nan 0.000 0.443 205 I N -0.037 120.602 120.570 0.115 0.000 2.226 205 I HA -0.168 3.910 4.170 -0.152 0.000 0.245 205 I C 2.768 178.888 176.117 0.005 0.000 1.100 205 I CA 1.915 63.316 61.300 0.168 0.000 1.374 205 I CB -1.405 36.727 38.000 0.219 0.000 1.057 205 I HN 0.429 nan 8.210 nan 0.000 0.413 206 S N 0.871 116.563 115.700 -0.013 0.000 2.368 206 S HA -0.186 4.193 4.470 -0.152 0.000 0.225 206 S C 2.044 176.572 174.600 -0.120 0.000 1.030 206 S CA 1.271 59.429 58.200 -0.070 0.000 0.999 206 S CB -0.325 62.855 63.200 -0.033 0.000 0.844 206 S HN 0.324 nan 8.310 nan 0.000 0.459 207 L N 1.513 122.689 121.223 -0.078 0.000 2.056 207 L HA 0.138 4.386 4.340 -0.152 0.000 0.207 207 L C 2.168 178.954 176.870 -0.139 0.000 1.078 207 L CA 1.610 56.398 54.840 -0.087 0.000 0.749 207 L CB -0.747 41.289 42.059 -0.039 0.000 0.901 207 L HN 0.386 nan 8.230 nan 0.000 0.433 208 L N -0.672 120.472 121.223 -0.132 0.000 2.046 208 L HA -0.199 4.049 4.340 -0.152 0.000 0.208 208 L C 2.640 179.138 176.870 -0.621 0.000 1.077 208 L CA 1.234 55.965 54.840 -0.182 0.000 0.747 208 L CB -0.893 41.224 42.059 0.097 0.000 0.896 208 L HN 0.372 nan 8.230 nan 0.000 0.432 209 A N -0.165 122.092 122.820 -0.938 0.000 1.972 209 A HA -0.200 4.028 4.320 -0.152 0.000 0.219 209 A C 2.279 179.574 177.584 -0.482 0.000 1.169 209 A CA 1.543 52.904 52.037 -1.127 0.000 0.635 209 A CB -0.288 18.272 19.000 -0.733 0.000 0.810 209 A HN 0.334 nan 8.150 nan 0.000 0.446 210 K N -0.262 119.954 120.400 -0.306 0.000 2.365 210 K HA 0.220 4.448 4.320 -0.152 0.000 0.197 210 K C 0.806 177.309 176.600 -0.162 0.000 1.042 210 K CA 0.333 56.510 56.287 -0.183 0.000 0.987 210 K CB -0.183 32.236 32.500 -0.136 0.000 0.779 210 K HN 0.445 nan 8.250 nan 0.000 0.484 211 A N 1.922 124.632 122.820 -0.184 0.000 2.511 211 A HA -0.021 4.208 4.320 -0.152 0.000 0.242 211 A C 0.815 178.302 177.584 -0.162 0.000 1.069 211 A CA -0.024 51.913 52.037 -0.167 0.000 0.763 211 A CB 0.336 19.247 19.000 -0.148 0.000 1.001 211 A HN 0.112 nan 8.150 nan 0.000 0.498 212 E N 1.584 121.662 120.200 -0.202 0.000 2.230 212 E HA -0.031 4.227 4.350 -0.152 0.000 0.192 212 E C 0.265 176.632 176.600 -0.387 0.000 0.987 212 E CA 0.900 57.177 56.400 -0.204 0.000 0.841 212 E CB 0.152 29.743 29.700 -0.181 0.000 0.783 212 E HN 0.701 nan 8.360 nan 0.000 0.481 213 R N 0.747 120.853 120.500 -0.657 0.000 2.638 213 R HA 0.220 4.468 4.340 -0.152 0.000 0.261 213 R C -2.564 173.156 176.300 -0.967 0.000 1.515 213 R CA -1.225 53.924 56.100 -1.585 0.000 1.623 213 R CB 1.543 30.679 30.300 -1.939 0.000 1.347 213 R HN 0.011 nan 8.270 nan 0.000 0.705 214 P HA 0.170 nan 4.420 nan 0.000 0.278 214 P C -0.882 176.600 177.300 0.303 0.000 1.238 214 P CA -0.474 62.641 63.100 0.025 0.000 0.794 214 P CB 1.433 33.214 31.700 0.135 0.000 0.955 215 L N 3.146 124.512 121.223 0.240 0.000 2.464 215 L HA 0.513 4.762 4.340 -0.152 0.000 0.266 215 L C -1.072 175.947 176.870 0.248 0.000 0.965 215 L CA -0.757 54.257 54.840 0.290 0.000 0.833 215 L CB 1.655 43.869 42.059 0.259 0.000 1.296 215 L HN 0.226 nan 8.230 nan 0.000 0.405 216 I N 5.327 126.061 120.570 0.272 0.000 2.385 216 I HA 0.419 4.498 4.170 -0.152 0.000 0.294 216 I C -0.499 175.768 176.117 0.250 0.000 0.988 216 I CA -0.346 61.110 61.300 0.261 0.000 1.265 216 I CB 1.460 39.625 38.000 0.274 0.000 1.388 216 I HN 0.484 nan 8.210 nan 0.000 0.480 217 I N 7.118 127.819 120.570 0.220 0.000 2.355 217 I HA 0.311 4.390 4.170 -0.152 0.000 0.288 217 I C -0.566 175.648 176.117 0.162 0.000 0.999 217 I CA -0.531 60.888 61.300 0.197 0.000 1.163 217 I CB 1.179 39.302 38.000 0.205 0.000 1.316 217 I HN 0.285 nan 8.210 nan 0.000 0.454 218 L N 6.331 127.652 121.223 0.165 0.000 2.260 218 L HA 0.523 4.772 4.340 -0.152 0.000 0.289 218 L C 0.792 177.724 176.870 0.102 0.000 1.057 218 L CA -0.268 54.642 54.840 0.116 0.000 0.811 218 L CB 0.992 43.109 42.059 0.098 0.000 1.184 218 L HN 0.667 nan 8.230 nan 0.000 0.429 219 G N 1.884 110.736 108.800 0.086 0.000 2.552 219 G HA2 0.280 4.149 3.960 -0.152 0.000 0.318 219 G HA3 0.280 4.149 3.960 -0.152 0.000 0.318 219 G C 0.648 175.618 174.900 0.117 0.000 1.240 219 G CA -0.552 44.594 45.100 0.077 0.000 1.002 219 G HN 0.794 nan 8.290 nan 0.000 0.493 220 K N -1.194 119.285 120.400 0.133 0.000 2.362 220 K HA 0.051 4.280 4.320 -0.152 0.000 0.200 220 K C 1.972 178.774 176.600 0.338 0.000 1.046 220 K CA 1.209 57.653 56.287 0.261 0.000 0.952 220 K CB -0.165 32.469 32.500 0.224 0.000 0.753 220 K HN 0.432 nan 8.250 nan 0.000 0.466 221 G N 1.562 110.486 108.800 0.206 0.000 2.418 221 G HA2 -0.256 3.613 3.960 -0.152 0.000 0.217 221 G HA3 -0.256 3.613 3.960 -0.152 0.000 0.217 221 G C 1.710 176.728 174.900 0.196 0.000 1.158 221 G CA 0.829 46.050 45.100 0.201 0.000 0.771 221 G HN 0.442 nan 8.290 nan 0.000 0.545 222 A N 1.249 124.148 122.820 0.131 0.000 1.877 222 A HA 0.218 4.447 4.320 -0.152 0.000 0.216 222 A C 2.839 180.467 177.584 0.073 0.000 1.186 222 A CA 2.408 54.492 52.037 0.078 0.000 0.620 222 A CB -0.882 18.146 19.000 0.047 0.000 0.822 222 A HN 0.804 nan 8.150 nan 0.000 0.443 223 A N -1.437 121.459 122.820 0.126 0.000 1.858 223 A HA -0.157 4.072 4.320 -0.152 0.000 0.216 223 A C 2.157 179.720 177.584 -0.035 0.000 1.190 223 A CA 1.745 53.829 52.037 0.079 0.000 0.617 223 A CB -0.988 18.146 19.000 0.223 0.000 0.827 223 A HN 0.763 nan 8.150 nan 0.000 0.443 224 Y N 2.025 122.298 120.300 -0.046 0.000 2.193 224 Y HA -0.274 4.185 4.550 -0.152 0.000 0.285 224 Y C 2.808 178.637 175.900 -0.118 0.000 1.166 224 Y CA 2.018 60.023 58.100 -0.159 0.000 1.181 224 Y CB -0.344 38.171 38.460 0.092 0.000 0.976 224 Y HN 0.439 nan 8.280 nan 0.000 0.520 225 S N -0.553 115.105 115.700 -0.070 0.000 2.474 225 S HA -0.216 4.162 4.470 -0.152 0.000 0.235 225 S C 1.105 175.588 174.600 -0.196 0.000 0.997 225 S CA 0.996 59.123 58.200 -0.121 0.000 0.949 225 S CB -0.443 62.753 63.200 -0.006 0.000 0.766 225 S HN 0.709 nan 8.310 nan 0.000 0.517 226 Q N -0.865 118.814 119.800 -0.202 0.000 2.452 226 Q HA -0.212 4.037 4.340 -0.152 0.000 0.248 226 Q C 0.555 176.486 176.000 -0.115 0.000 0.874 226 Q CA 0.611 56.309 55.803 -0.175 0.000 1.208 226 Q CB -2.295 26.316 28.738 -0.212 0.000 1.569 226 Q HN 0.843 nan 8.270 nan 0.000 0.579 227 A N 0.566 123.332 122.820 -0.091 0.000 2.728 227 A HA 0.075 4.304 4.320 -0.152 0.000 0.258 227 A C 0.947 178.491 177.584 -0.066 0.000 1.454 227 A CA 0.120 52.115 52.037 -0.070 0.000 1.146 227 A CB 0.045 19.009 19.000 -0.060 0.000 0.985 227 A HN 0.252 nan 8.150 nan 0.000 0.603 228 D N 0.611 120.969 120.400 -0.071 0.000 2.104 228 D HA -0.165 4.383 4.640 -0.152 0.000 0.194 228 D C 1.516 177.780 176.300 -0.060 0.000 0.994 228 D CA 1.335 55.293 54.000 -0.070 0.000 0.830 228 D CB 0.036 40.797 40.800 -0.066 0.000 0.959 228 D HN 0.462 nan 8.370 nan 0.000 0.452 229 E N 0.874 121.047 120.200 -0.045 0.000 2.072 229 E HA -0.121 4.138 4.350 -0.152 0.000 0.191 229 E C 2.210 178.798 176.600 -0.021 0.000 0.985 229 E CA 0.612 56.993 56.400 -0.030 0.000 0.801 229 E CB -0.266 29.420 29.700 -0.023 0.000 0.750 229 E HN 0.495 nan 8.360 nan 0.000 0.452 230 Q N 0.266 120.053 119.800 -0.022 0.000 2.050 230 Q HA -0.083 4.166 4.340 -0.152 0.000 0.202 230 Q C 2.526 178.531 176.000 0.009 0.000 0.980 230 Q CA 0.924 56.725 55.803 -0.004 0.000 0.840 230 Q CB -0.169 28.556 28.738 -0.021 0.000 0.898 230 Q HN 0.252 nan 8.270 nan 0.000 0.424 231 L N 0.278 121.482 121.223 -0.031 0.000 2.042 231 L HA -0.221 4.028 4.340 -0.152 0.000 0.210 231 L C 2.724 179.567 176.870 -0.045 0.000 1.076 231 L CA 1.327 56.143 54.840 -0.040 0.000 0.749 231 L CB -0.449 41.554 42.059 -0.092 0.000 0.893 231 L HN 0.196 nan 8.230 nan 0.000 0.432 232 R N 0.298 120.748 120.500 -0.083 0.000 2.081 232 R HA -0.224 4.025 4.340 -0.152 0.000 0.235 232 R C 2.251 178.531 176.300 -0.034 0.000 1.131 232 R CA 1.839 57.876 56.100 -0.106 0.000 0.960 232 R CB -0.175 30.077 30.300 -0.080 0.000 0.856 232 R HN 0.389 nan 8.270 nan 0.000 0.436 233 E N -0.548 119.657 120.200 0.009 0.000 2.077 233 E HA -0.231 4.028 4.350 -0.152 0.000 0.193 233 E C 1.735 178.358 176.600 0.039 0.000 0.989 233 E CA 1.289 57.703 56.400 0.024 0.000 0.800 233 E CB -0.195 29.526 29.700 0.034 0.000 0.746 233 E HN 0.349 nan 8.360 nan 0.000 0.452 234 F N 1.206 121.118 119.950 -0.064 0.000 2.075 234 F HA -0.152 4.282 4.527 -0.154 0.000 0.297 234 F C 2.075 177.833 175.800 -0.069 0.000 1.113 234 F CA 1.525 59.489 58.000 -0.060 0.000 1.218 234 F CB -0.202 38.775 39.000 -0.040 0.000 0.984 234 F HN -0.002 nan 8.300 nan 0.000 0.472 235 I N 0.172 120.775 120.570 0.055 0.000 2.208 235 I HA -0.316 3.763 4.170 -0.152 0.000 0.245 235 I C 2.203 178.273 176.117 -0.079 0.000 1.097 235 I CA 1.878 63.159 61.300 -0.033 0.000 1.363 235 I CB -0.512 37.422 38.000 -0.109 0.000 1.051 235 I HN 0.251 nan 8.210 nan 0.000 0.413 236 E N -0.266 119.898 120.200 -0.060 0.000 2.158 236 E HA -0.157 4.102 4.350 -0.152 0.000 0.191 236 E C 2.245 178.796 176.600 -0.082 0.000 0.982 236 E CA 1.137 57.529 56.400 -0.013 0.000 0.823 236 E CB -0.020 29.706 29.700 0.043 0.000 0.766 236 E HN 0.326 nan 8.360 nan 0.000 0.468 237 S N 0.611 116.217 115.700 -0.155 0.000 2.355 237 S HA -0.086 4.293 4.470 -0.152 0.000 0.222 237 S C 1.951 176.359 174.600 -0.319 0.000 1.031 237 S CA 1.195 59.270 58.200 -0.209 0.000 0.993 237 S CB 0.008 63.078 63.200 -0.216 0.000 0.859 237 S HN 0.275 nan 8.310 nan 0.000 0.453 238 A N -0.109 122.417 122.820 -0.489 0.000 2.275 238 A HA 0.334 4.563 4.320 -0.152 0.000 0.212 238 A C 0.503 177.900 177.584 -0.312 0.000 1.201 238 A CA 0.180 51.831 52.037 -0.643 0.000 0.843 238 A CB -0.141 18.166 19.000 -1.154 0.000 0.873 238 A HN 0.506 nan 8.150 nan 0.000 0.492 239 Q N -0.716 118.985 119.800 -0.166 0.000 2.452 239 Q HA -0.179 4.069 4.340 -0.152 0.000 0.318 239 Q C -0.660 175.372 176.000 0.052 0.000 1.386 239 Q CA 0.877 56.668 55.803 -0.021 0.000 0.872 239 Q CB -1.933 26.805 28.738 -0.001 0.000 1.151 239 Q HN 0.754 nan 8.270 nan 0.000 0.417 240 I N 1.350 121.954 120.570 0.057 0.000 2.325 240 I HA 0.186 4.265 4.170 -0.152 0.000 0.291 240 I C -1.801 174.456 176.117 0.234 0.000 1.019 240 I CA -1.987 59.416 61.300 0.172 0.000 1.302 240 I CB 0.894 39.003 38.000 0.181 0.000 1.401 240 I HN -0.128 nan 8.210 nan 0.000 0.485 241 P HA 0.044 nan 4.420 nan 0.000 0.266 241 P C -0.962 176.482 177.300 0.240 0.000 1.195 241 P CA 0.217 63.406 63.100 0.149 0.000 0.768 241 P CB 0.299 32.007 31.700 0.014 0.000 0.838 242 F N 1.921 121.895 119.950 0.040 0.000 2.588 242 F HA 0.769 5.200 4.527 -0.161 0.000 0.314 242 F C -1.889 173.925 175.800 0.022 0.000 1.069 242 F CA -1.632 56.394 58.000 0.044 0.000 0.931 242 F CB 1.156 40.166 39.000 0.017 0.000 1.260 242 F HN 0.060 nan 8.300 nan 0.000 0.465 243 L N 4.768 126.050 121.223 0.097 0.000 2.372 243 L HA 0.688 4.937 4.340 -0.152 0.000 0.274 243 L C -2.795 174.172 176.870 0.162 0.000 0.988 243 L CA -2.277 52.562 54.840 -0.003 0.000 0.833 243 L CB 2.055 44.113 42.059 -0.002 0.000 1.236 243 L HN 0.468 nan 8.230 nan 0.000 0.410 244 P HA 0.253 nan 4.420 nan 0.000 0.292 244 P C -0.628 176.718 177.300 0.076 0.000 1.287 244 P CA -0.561 62.642 63.100 0.172 0.000 0.800 244 P CB 1.110 32.932 31.700 0.203 0.000 0.945 245 M N 1.605 121.244 119.600 0.066 0.000 2.167 245 M HA 0.016 4.404 4.480 -0.152 0.000 0.300 245 M C 2.100 178.412 176.300 0.020 0.000 1.171 245 M CA 0.204 55.516 55.300 0.020 0.000 1.171 245 M CB -0.750 31.853 32.600 0.005 0.000 1.396 245 M HN 0.433 nan 8.290 nan 0.000 0.466 246 S N 0.719 116.413 115.700 -0.010 0.000 2.369 246 S HA -0.163 4.216 4.470 -0.152 0.000 0.225 246 S C 1.521 176.136 174.600 0.025 0.000 1.043 246 S CA 1.783 59.980 58.200 -0.004 0.000 1.074 246 S CB -0.054 63.132 63.200 -0.024 0.000 0.962 246 S HN 0.629 nan 8.310 nan 0.000 0.433 247 M N 0.401 120.021 119.600 0.033 0.000 2.561 247 M HA 0.218 4.607 4.480 -0.152 0.000 0.238 247 M C 1.535 177.939 176.300 0.173 0.000 1.131 247 M CA 0.380 55.724 55.300 0.075 0.000 1.046 247 M CB 0.085 32.666 32.600 -0.031 0.000 1.532 247 M HN 0.462 nan 8.290 nan 0.000 0.497 248 A N 0.093 122.988 122.820 0.127 0.000 2.308 248 A HA 0.141 4.370 4.320 -0.152 0.000 0.217 248 A C 0.585 178.227 177.584 0.097 0.000 1.216 248 A CA -0.109 52.003 52.037 0.125 0.000 0.864 248 A CB -0.007 19.061 19.000 0.113 0.000 0.902 248 A HN 0.272 nan 8.150 nan 0.000 0.499 249 K N -0.410 120.038 120.400 0.080 0.000 2.489 249 K HA 0.328 4.557 4.320 -0.152 0.000 0.278 249 K C 1.211 177.835 176.600 0.040 0.000 1.000 249 K CA 0.903 57.225 56.287 0.058 0.000 1.012 249 K CB 0.172 32.687 32.500 0.025 0.000 0.903 249 K HN 0.560 nan 8.250 nan 0.000 0.485 250 G N 2.200 111.017 108.800 0.029 0.000 2.217 250 G HA2 -0.288 3.581 3.960 -0.152 0.000 0.246 250 G HA3 -0.288 3.581 3.960 -0.152 0.000 0.246 250 G C 0.910 175.811 174.900 0.002 0.000 0.990 250 G CA 0.242 45.346 45.100 0.005 0.000 0.627 250 G HN 0.607 nan 8.290 nan 0.000 0.522 251 I N -0.039 120.527 120.570 -0.006 0.000 2.127 251 I HA -0.020 4.059 4.170 -0.152 0.000 0.241 251 I C 1.255 177.319 176.117 -0.088 0.000 1.075 251 I CA 1.109 62.377 61.300 -0.052 0.000 1.334 251 I CB -0.210 37.746 38.000 -0.072 0.000 1.040 251 I HN 0.139 nan 8.210 nan 0.000 0.405 252 L N 0.691 121.833 121.223 -0.135 0.000 2.344 252 L HA 0.191 4.440 4.340 -0.152 0.000 0.272 252 L C 0.417 177.326 176.870 0.065 0.000 1.035 252 L CA -0.550 54.231 54.840 -0.099 0.000 0.807 252 L CB 0.629 42.450 42.059 -0.397 0.000 1.237 252 L HN 0.119 nan 8.230 nan 0.000 0.442 253 E N 0.907 121.186 120.200 0.132 0.000 2.415 253 E HA -0.070 4.189 4.350 -0.152 0.000 0.262 253 E C -0.453 176.193 176.600 0.076 0.000 1.038 253 E CA -0.144 56.296 56.400 0.066 0.000 0.921 253 E CB 0.618 30.388 29.700 0.117 0.000 0.950 253 E HN 0.506 nan 8.360 nan 0.000 0.438 254 D N 2.020 122.354 120.400 -0.110 0.000 2.263 254 D HA -0.108 4.441 4.640 -0.152 0.000 0.208 254 D C 1.352 177.631 176.300 -0.035 0.000 0.971 254 D CA 1.899 55.863 54.000 -0.061 0.000 0.867 254 D CB -0.075 40.641 40.800 -0.141 0.000 0.929 254 D HN 0.701 nan 8.370 nan 0.000 0.492 255 T N -2.202 112.322 114.554 -0.049 0.000 3.188 255 T HA -0.051 4.208 4.350 -0.152 0.000 0.250 255 T C 0.823 175.568 174.700 0.076 0.000 1.077 255 T CA -0.474 61.635 62.100 0.015 0.000 0.967 255 T CB -0.224 68.668 68.868 0.040 0.000 1.006 255 T HN 0.108 nan 8.240 nan 0.000 0.552 256 H N 3.338 122.445 119.070 0.061 0.000 3.001 256 H HA 0.079 4.542 4.556 -0.156 0.000 0.334 256 H C -1.391 173.973 175.328 0.060 0.000 1.034 256 H CA -1.286 54.832 56.048 0.117 0.000 1.420 256 H CB 1.480 31.413 29.762 0.285 0.000 1.405 256 H HN 0.046 nan 8.280 nan 0.000 0.593 257 P HA -0.139 nan 4.420 nan 0.000 0.219 257 P C 1.445 178.818 177.300 0.121 0.000 1.146 257 P CA 1.024 64.122 63.100 -0.002 0.000 0.808 257 P CB 0.285 31.931 31.700 -0.090 0.000 0.779 258 L N -1.175 120.311 121.223 0.439 0.000 2.592 258 L HA 0.114 4.363 4.340 -0.152 0.000 0.227 258 L C 1.289 178.067 176.870 -0.152 0.000 1.127 258 L CA -0.061 54.923 54.840 0.241 0.000 0.884 258 L CB -0.248 42.056 42.059 0.408 0.000 1.065 258 L HN -0.080 nan 8.230 nan 0.000 0.457 259 S N 0.584 116.067 115.700 -0.361 0.000 2.516 259 S HA 0.246 4.625 4.470 -0.152 0.000 0.282 259 S C 1.059 175.368 174.600 -0.485 0.000 1.286 259 S CA -0.042 57.588 58.200 -0.951 0.000 1.066 259 S CB 1.275 64.093 63.200 -0.636 0.000 0.884 259 S HN 0.295 nan 8.310 nan 0.000 0.491 260 A N 4.765 127.301 122.820 -0.474 0.000 2.337 260 A HA 0.505 4.734 4.320 -0.152 0.000 0.227 260 A C 2.005 179.475 177.584 -0.191 0.000 1.259 260 A CA 0.583 52.463 52.037 -0.261 0.000 0.870 260 A CB -0.773 18.107 19.000 -0.200 0.000 0.927 260 A HN 1.136 nan 8.150 nan 0.000 0.497 261 A N 0.404 123.094 122.820 -0.216 0.000 1.917 261 A HA 0.029 4.257 4.320 -0.152 0.000 0.219 261 A C 2.342 179.879 177.584 -0.078 0.000 1.182 261 A CA 1.937 53.896 52.037 -0.131 0.000 0.633 261 A CB -0.832 18.098 19.000 -0.117 0.000 0.819 261 A HN 1.156 nan 8.150 nan 0.000 0.448 262 A N -1.382 121.395 122.820 -0.072 0.000 2.172 262 A HA 0.401 4.630 4.320 -0.152 0.000 0.216 262 A C 1.527 179.097 177.584 -0.023 0.000 1.154 262 A CA 1.466 53.483 52.037 -0.033 0.000 0.701 262 A CB -0.469 18.516 19.000 -0.026 0.000 0.789 262 A HN 1.299 nan 8.150 nan 0.000 0.465 263 A N -0.899 121.901 122.820 -0.034 0.000 2.674 263 A HA 0.425 4.654 4.320 -0.152 0.000 0.286 263 A C 1.319 178.914 177.584 0.020 0.000 0.980 263 A CA 0.126 52.170 52.037 0.012 0.000 1.028 263 A CB -0.297 18.707 19.000 0.006 0.000 1.199 263 A HN 0.409 nan 8.150 nan 0.000 0.499 264 R N 0.060 120.546 120.500 -0.024 0.000 2.083 264 R HA -0.132 4.117 4.340 -0.152 0.000 0.237 264 R C 1.680 177.932 176.300 -0.080 0.000 1.137 264 R CA 2.336 58.399 56.100 -0.062 0.000 0.951 264 R CB -0.142 30.119 30.300 -0.065 0.000 0.851 264 R HN 0.442 nan 8.270 nan 0.000 0.434 265 S N 0.282 115.958 115.700 -0.039 0.000 2.356 265 S HA -0.156 4.222 4.470 -0.152 0.000 0.223 265 S C 1.449 176.010 174.600 -0.064 0.000 1.032 265 S CA 1.412 59.578 58.200 -0.057 0.000 1.005 265 S CB -0.435 62.764 63.200 -0.002 0.000 0.867 265 S HN 0.432 nan 8.310 nan 0.000 0.449 266 F N 2.585 122.448 119.950 -0.146 0.000 2.102 266 F HA -0.121 4.315 4.527 -0.153 0.000 0.298 266 F C 2.298 178.018 175.800 -0.133 0.000 1.105 266 F CA 1.142 59.021 58.000 -0.200 0.000 1.239 266 F CB -0.795 37.979 39.000 -0.376 0.000 0.991 266 F HN 0.171 nan 8.300 nan 0.000 0.474 267 A N 0.906 123.674 122.820 -0.087 0.000 1.883 267 A HA -0.172 4.057 4.320 -0.152 0.000 0.217 267 A C 2.310 179.776 177.584 -0.196 0.000 1.186 267 A CA 2.061 54.050 52.037 -0.080 0.000 0.624 267 A CB -1.290 17.694 19.000 -0.026 0.000 0.822 267 A HN 0.514 nan 8.150 nan 0.000 0.444 268 L N -1.034 119.979 121.223 -0.350 0.000 2.093 268 L HA -0.135 4.114 4.340 -0.152 0.000 0.208 268 L C 3.004 179.564 176.870 -0.516 0.000 1.085 268 L CA 0.924 55.368 54.840 -0.659 0.000 0.755 268 L CB -0.535 40.916 42.059 -1.013 0.000 0.904 268 L HN 0.442 nan 8.230 nan 0.000 0.435 269 A N 0.251 122.845 122.820 -0.376 0.000 2.015 269 A HA -0.151 4.077 4.320 -0.152 0.000 0.219 269 A C 1.736 179.164 177.584 -0.261 0.000 1.163 269 A CA 1.895 53.778 52.037 -0.256 0.000 0.646 269 A CB -0.434 18.442 19.000 -0.206 0.000 0.806 269 A HN 0.522 nan 8.150 nan 0.000 0.448 270 N N -1.168 117.310 118.700 -0.370 0.000 2.210 270 N HA 0.354 5.002 4.740 -0.152 0.000 0.203 270 N C 0.400 175.677 175.510 -0.388 0.000 1.175 270 N CA 0.447 53.269 53.050 -0.380 0.000 0.894 270 N CB 0.313 38.431 38.487 -0.616 0.000 1.041 270 N HN 0.374 nan 8.380 nan 0.000 0.506 271 A N 1.231 123.875 122.820 -0.292 0.000 2.498 271 A HA 0.063 4.292 4.320 -0.152 0.000 0.239 271 A C 0.736 178.123 177.584 -0.328 0.000 1.068 271 A CA 0.165 51.983 52.037 -0.366 0.000 0.766 271 A CB 0.208 19.148 19.000 -0.101 0.000 1.003 271 A HN 0.371 nan 8.150 nan 0.000 0.497 272 D N 0.715 120.882 120.400 -0.388 0.000 2.324 272 D HA 0.071 4.620 4.640 -0.152 0.000 0.212 272 D C 0.046 176.206 176.300 -0.233 0.000 0.984 272 D CA 0.491 54.324 54.000 -0.279 0.000 0.885 272 D CB -0.081 40.553 40.800 -0.276 0.000 0.996 272 D HN 0.183 nan 8.370 nan 0.000 0.505 273 V N 1.237 121.024 119.914 -0.210 0.000 2.531 273 V HA 0.420 4.449 4.120 -0.152 0.000 0.301 273 V C -0.657 175.388 176.094 -0.081 0.000 1.034 273 V CA -0.915 61.294 62.300 -0.153 0.000 0.865 273 V CB 2.457 34.219 31.823 -0.101 0.000 0.995 273 V HN -0.054 nan 8.190 nan 0.000 0.424 274 V N 5.936 125.797 119.914 -0.088 0.000 2.487 274 V HA 0.489 4.518 4.120 -0.152 0.000 0.298 274 V C -0.159 176.051 176.094 0.195 0.000 1.028 274 V CA -0.444 61.909 62.300 0.088 0.000 0.860 274 V CB 1.794 33.734 31.823 0.196 0.000 0.991 274 V HN 0.914 nan 8.190 nan 0.000 0.427 275 M N 6.641 126.369 119.600 0.213 0.000 2.047 275 M HA 0.541 4.930 4.480 -0.152 0.000 0.342 275 M C -1.406 175.016 176.300 0.204 0.000 1.058 275 M CA -0.461 54.959 55.300 0.201 0.000 0.991 275 M CB 0.581 33.291 32.600 0.183 0.000 1.474 275 M HN 0.529 nan 8.290 nan 0.000 0.419 276 L N 5.948 127.292 121.223 0.201 0.000 2.313 276 L HA 0.401 4.650 4.340 -0.152 0.000 0.282 276 L C -0.736 176.187 176.870 0.089 0.000 1.092 276 L CA -0.717 54.214 54.840 0.152 0.000 0.831 276 L CB 0.973 43.100 42.059 0.113 0.000 1.159 276 L HN 0.433 nan 8.230 nan 0.000 0.442 277 V N 2.479 122.440 119.914 0.079 0.000 2.304 277 V HA 0.403 4.432 4.120 -0.152 0.000 0.278 277 V C 0.831 176.953 176.094 0.047 0.000 1.018 277 V CA -0.464 61.862 62.300 0.044 0.000 0.814 277 V CB 0.956 32.795 31.823 0.027 0.000 1.021 277 V HN 1.013 nan 8.190 nan 0.000 0.440 278 G N 3.955 112.778 108.800 0.037 0.000 2.371 278 G HA2 0.088 3.957 3.960 -0.152 0.000 0.299 278 G HA3 0.088 3.957 3.960 -0.152 0.000 0.299 278 G C 0.109 175.032 174.900 0.038 0.000 1.014 278 G CA 0.432 45.558 45.100 0.043 0.000 1.097 278 G HN 1.677 nan 8.290 nan 0.000 0.512 279 A N 0.163 122.994 122.820 0.019 0.000 2.408 279 A HA 0.827 5.056 4.320 -0.152 0.000 0.295 279 A C 0.151 177.712 177.584 -0.037 0.000 1.040 279 A CA -0.691 51.346 52.037 0.001 0.000 0.707 279 A CB 1.193 20.214 19.000 0.035 0.000 1.235 279 A HN 0.497 nan 8.150 nan 0.000 0.418 280 R N 1.449 121.906 120.500 -0.072 0.000 2.410 280 R HA 0.368 4.617 4.340 -0.152 0.000 0.288 280 R C -0.302 175.911 176.300 -0.145 0.000 1.051 280 R CA -0.493 55.544 56.100 -0.106 0.000 1.021 280 R CB 0.938 31.177 30.300 -0.102 0.000 1.032 280 R HN 0.683 nan 8.270 nan 0.000 0.481 281 L N 4.650 125.755 121.223 -0.197 0.000 2.821 281 L HA 0.008 4.257 4.340 -0.152 0.000 0.239 281 L C 0.283 177.006 176.870 -0.246 0.000 1.391 281 L CA -0.349 54.331 54.840 -0.267 0.000 1.231 281 L CB -1.266 40.536 42.059 -0.428 0.000 1.598 281 L HN 0.661 nan 8.230 nan 0.000 0.428 282 N N -0.900 117.641 118.700 -0.266 0.000 2.620 282 N HA 0.039 4.688 4.740 -0.152 0.000 0.307 282 N C 1.099 176.214 175.510 -0.659 0.000 1.316 282 N CA -0.637 52.209 53.050 -0.340 0.000 0.931 282 N CB -0.153 38.278 38.487 -0.094 0.000 1.116 282 N HN 0.258 nan 8.380 nan 0.000 0.573 283 W N -0.739 120.219 121.300 -0.571 0.000 2.364 283 W HA -0.012 4.558 4.660 -0.150 0.000 0.281 283 W C 0.917 177.342 176.519 -0.157 0.000 1.219 283 W CA 0.285 57.406 57.345 -0.372 0.000 1.220 283 W CB -1.173 28.262 29.460 -0.041 0.000 1.127 283 W HN 0.284 nan 8.180 nan 0.000 0.556 284 L N 0.787 121.383 121.223 -1.046 0.000 2.275 284 L HA -0.074 4.175 4.340 -0.152 0.000 0.215 284 L C 2.060 178.721 176.870 -0.348 0.000 1.119 284 L CA 0.927 55.210 54.840 -0.928 0.000 0.790 284 L CB -0.413 41.110 42.059 -0.893 0.000 0.919 284 L HN -0.039 nan 8.230 nan 0.000 0.443 285 L N -0.549 120.549 121.223 -0.209 0.000 2.965 285 L HA 0.317 4.566 4.340 -0.152 0.000 0.254 285 L C 1.135 178.135 176.870 0.216 0.000 1.220 285 L CA -0.128 54.769 54.840 0.096 0.000 1.023 285 L CB 0.223 42.385 42.059 0.172 0.000 1.355 285 L HN 0.202 nan 8.230 nan 0.000 0.545 286 A N -0.018 122.841 122.820 0.065 0.000 2.826 286 A HA -0.291 3.938 4.320 -0.152 0.000 0.274 286 A C 0.818 178.485 177.584 0.138 0.000 1.443 286 A CA 1.156 53.295 52.037 0.171 0.000 0.833 286 A CB -2.215 16.972 19.000 0.312 0.000 1.023 286 A HN 0.778 nan 8.150 nan 0.000 0.600 287 H N -3.358 115.707 119.070 -0.009 0.000 2.921 287 H HA -0.233 4.232 4.556 -0.151 0.000 0.281 287 H C 1.802 176.924 175.328 -0.342 0.000 1.165 287 H CA 1.852 57.817 56.048 -0.138 0.000 1.151 287 H CB -1.759 27.966 29.762 -0.061 0.000 1.311 287 H HN 2.430 nan 8.280 nan 0.000 0.361 288 G N -0.476 107.984 108.800 -0.567 0.000 2.153 288 G HA2 -0.367 3.502 3.960 -0.152 0.000 0.252 288 G HA3 -0.367 3.502 3.960 -0.152 0.000 0.252 288 G C 0.886 175.386 174.900 -0.668 0.000 0.994 288 G CA 1.275 45.601 45.100 -1.290 0.000 0.698 288 G HN 0.559 nan 8.290 nan 0.000 0.521 289 K N -0.276 120.026 120.400 -0.165 0.000 3.533 289 K HA 0.291 4.520 4.320 -0.152 0.000 0.215 289 K C 1.155 177.918 176.600 0.272 0.000 1.143 289 K CA -0.158 56.178 56.287 0.082 0.000 1.479 289 K CB 0.198 32.745 32.500 0.078 0.000 2.075 289 K HN 0.142 nan 8.250 nan 0.000 0.476 290 K N 0.617 121.167 120.400 0.250 0.000 2.491 290 K HA -0.078 4.150 4.320 -0.152 0.000 0.279 290 K C 0.368 177.156 176.600 0.314 0.000 1.026 290 K CA 1.178 57.607 56.287 0.235 0.000 1.070 290 K CB 0.030 32.638 32.500 0.180 0.000 0.887 290 K HN 0.627 nan 8.250 nan 0.000 0.481 291 G N 3.058 111.980 108.800 0.204 0.000 2.176 291 G HA2 -0.238 3.631 3.960 -0.152 0.000 0.253 291 G HA3 -0.238 3.631 3.960 -0.152 0.000 0.253 291 G C -0.678 174.215 174.900 -0.013 0.000 0.979 291 G CA 0.122 45.271 45.100 0.081 0.000 0.641 291 G HN 0.598 nan 8.290 nan 0.000 0.530 292 W N 0.719 122.034 121.300 0.026 0.000 2.509 292 W HA 0.801 5.370 4.660 -0.151 0.000 0.351 292 W C 0.656 177.165 176.519 -0.016 0.000 1.107 292 W CA -0.316 57.038 57.345 0.015 0.000 1.264 292 W CB 1.085 30.586 29.460 0.069 0.000 1.312 292 W HN 0.503 nan 8.180 nan 0.000 0.608 293 A N 1.300 124.224 122.820 0.173 0.000 2.507 293 A HA 0.404 4.633 4.320 -0.152 0.000 0.235 293 A C 1.314 178.961 177.584 0.104 0.000 1.070 293 A CA 0.533 52.610 52.037 0.068 0.000 0.768 293 A CB 0.103 19.093 19.000 -0.017 0.000 1.011 293 A HN 1.025 nan 8.150 nan 0.000 0.502 294 A N 0.524 123.376 122.820 0.052 0.000 1.972 294 A HA -0.023 4.206 4.320 -0.152 0.000 0.219 294 A C 0.895 178.499 177.584 0.034 0.000 1.169 294 A CA 1.741 53.807 52.037 0.049 0.000 0.635 294 A CB -0.089 18.927 19.000 0.027 0.000 0.810 294 A HN 0.742 nan 8.150 nan 0.000 0.446 295 D N 0.051 120.453 120.400 0.004 0.000 2.891 295 D HA 0.136 4.685 4.640 -0.152 0.000 0.332 295 D C -0.641 175.617 176.300 -0.071 0.000 1.369 295 D CA -0.029 53.959 54.000 -0.020 0.000 0.827 295 D CB 0.210 40.994 40.800 -0.026 0.000 1.141 295 D HN 0.159 nan 8.370 nan 0.000 0.464 296 T N 1.370 115.869 114.554 -0.092 0.000 2.923 296 T HA -0.058 4.201 4.350 -0.152 0.000 0.304 296 T C 0.626 175.099 174.700 -0.380 0.000 1.044 296 T CA 0.539 62.479 62.100 -0.268 0.000 1.141 296 T CB 1.020 69.662 68.868 -0.376 0.000 1.023 296 T HN 0.079 nan 8.240 nan 0.000 0.533 297 Q N 1.631 121.213 119.800 -0.364 0.000 2.290 297 Q HA 0.435 4.684 4.340 -0.152 0.000 0.259 297 Q C -0.930 174.858 176.000 -0.353 0.000 0.941 297 Q CA -0.396 55.254 55.803 -0.256 0.000 0.912 297 Q CB 1.061 29.721 28.738 -0.131 0.000 1.244 297 Q HN 0.544 nan 8.270 nan 0.000 0.441 298 F N 2.135 122.084 119.950 -0.002 0.000 2.443 298 F HA 0.471 4.906 4.527 -0.153 0.000 0.335 298 F C 0.164 175.970 175.800 0.009 0.000 1.104 298 F CA -0.684 57.321 58.000 0.008 0.000 1.013 298 F CB 0.977 39.961 39.000 -0.026 0.000 1.136 298 F HN 0.322 nan 8.300 nan 0.000 0.470 299 I N 2.355 123.052 120.570 0.212 0.000 2.412 299 I HA 0.361 4.440 4.170 -0.152 0.000 0.296 299 I C -0.637 175.567 176.117 0.145 0.000 0.987 299 I CA -0.547 60.837 61.300 0.140 0.000 1.180 299 I CB 1.791 39.855 38.000 0.106 0.000 1.340 299 I HN 0.542 nan 8.210 nan 0.000 0.455 300 Q N 5.964 125.814 119.800 0.084 0.000 2.275 300 Q HA 0.451 4.700 4.340 -0.152 0.000 0.266 300 Q C -1.867 174.146 176.000 0.021 0.000 1.002 300 Q CA -0.815 55.018 55.803 0.050 0.000 0.761 300 Q CB 1.619 30.363 28.738 0.010 0.000 1.255 300 Q HN 0.493 nan 8.270 nan 0.000 0.446 301 L N 4.099 125.331 121.223 0.016 0.000 2.260 301 L HA 0.508 4.756 4.340 -0.152 0.000 0.289 301 L C -0.377 176.494 176.870 0.002 0.000 1.057 301 L CA 0.479 55.318 54.840 -0.002 0.000 0.811 301 L CB 1.157 43.205 42.059 -0.020 0.000 1.184 301 L HN 0.587 nan 8.230 nan 0.000 0.429 302 D N 1.918 122.317 120.400 -0.002 0.000 2.655 302 D HA 0.152 4.700 4.640 -0.152 0.000 0.229 302 D C 0.362 176.662 176.300 0.000 0.000 1.229 302 D CA -0.494 53.506 54.000 -0.001 0.000 0.807 302 D CB 2.473 43.265 40.800 -0.013 0.000 1.514 302 D HN 0.326 nan 8.370 nan 0.000 0.444 303 I N 1.655 122.229 120.570 0.007 0.000 3.059 303 I HA 0.011 4.090 4.170 -0.152 0.000 0.270 303 I C 0.340 176.457 176.117 0.000 0.000 1.238 303 I CA 0.861 62.166 61.300 0.009 0.000 1.478 303 I CB 0.140 38.155 38.000 0.025 0.000 1.097 303 I HN 0.208 nan 8.210 nan 0.000 0.455 304 E N 1.726 121.921 120.200 -0.009 0.000 2.035 304 E HA 0.262 4.521 4.350 -0.152 0.000 0.271 304 E C -1.785 174.803 176.600 -0.019 0.000 0.953 304 E CA -2.922 53.468 56.400 -0.017 0.000 0.777 304 E CB 0.812 30.496 29.700 -0.027 0.000 1.104 304 E HN 0.113 nan 8.360 nan 0.000 0.408 305 P HA -0.193 nan 4.420 nan 0.000 0.220 305 P C 0.624 177.911 177.300 -0.023 0.000 1.148 305 P CA 1.102 64.192 63.100 -0.017 0.000 0.803 305 P CB 0.388 32.081 31.700 -0.012 0.000 0.782 306 Q N -0.276 119.510 119.800 -0.024 0.000 2.364 306 Q HA -0.175 4.074 4.340 -0.152 0.000 0.209 306 Q C 2.021 178.000 176.000 -0.036 0.000 0.977 306 Q CA 1.012 56.798 55.803 -0.028 0.000 0.885 306 Q CB -0.300 28.421 28.738 -0.028 0.000 0.941 306 Q HN 0.239 nan 8.270 nan 0.000 0.464 307 E N 0.394 120.570 120.200 -0.040 0.000 2.216 307 E HA -0.055 4.204 4.350 -0.152 0.000 0.192 307 E C 0.184 176.748 176.600 -0.059 0.000 0.988 307 E CA 0.162 56.532 56.400 -0.050 0.000 0.834 307 E CB 0.260 29.929 29.700 -0.052 0.000 0.772 307 E HN 0.095 nan 8.360 nan 0.000 0.479 308 I N 2.350 122.890 120.570 -0.050 0.000 2.648 308 I HA -0.058 4.021 4.170 -0.152 0.000 0.284 308 I C 0.137 176.219 176.117 -0.059 0.000 1.153 308 I CA 0.605 61.873 61.300 -0.054 0.000 1.426 308 I CB -0.002 37.977 38.000 -0.035 0.000 1.381 308 I HN 0.159 nan 8.210 nan 0.000 0.571 309 D N 2.992 123.346 120.400 -0.077 0.000 2.870 309 D HA -0.170 4.379 4.640 -0.152 0.000 0.228 309 D C 1.471 177.727 176.300 -0.074 0.000 1.147 309 D CA 1.229 55.184 54.000 -0.075 0.000 0.757 309 D CB -0.915 39.856 40.800 -0.047 0.000 1.091 309 D HN 0.754 nan 8.370 nan 0.000 0.429 310 S N -1.477 114.172 115.700 -0.085 0.000 2.406 310 S HA -0.055 4.324 4.470 -0.152 0.000 0.228 310 S C 1.477 176.038 174.600 -0.065 0.000 1.020 310 S CA 1.267 59.428 58.200 -0.065 0.000 0.965 310 S CB 0.333 63.499 63.200 -0.056 0.000 0.798 310 S HN 0.355 nan 8.310 nan 0.000 0.488 311 N N -0.016 118.622 118.700 -0.103 0.000 3.251 311 N HA 0.335 4.984 4.740 -0.152 0.000 0.227 311 N C -0.475 174.953 175.510 -0.136 0.000 1.084 311 N CA -0.126 52.864 53.050 -0.100 0.000 1.167 311 N CB 0.333 38.768 38.487 -0.086 0.000 1.548 311 N HN -0.020 nan 8.380 nan 0.000 0.592 312 R N 1.311 121.673 120.500 -0.230 0.000 2.428 312 R HA 0.475 4.723 4.340 -0.152 0.000 0.294 312 R C -2.486 173.733 176.300 -0.136 0.000 1.000 312 R CA -2.318 53.672 56.100 -0.185 0.000 0.960 312 R CB -0.181 29.970 30.300 -0.249 0.000 1.076 312 R HN 0.174 nan 8.270 nan 0.000 0.475 313 P HA 0.052 nan 4.420 nan 0.000 0.265 313 P C -0.294 177.026 177.300 0.034 0.000 1.193 313 P CA 0.241 63.334 63.100 -0.012 0.000 0.765 313 P CB 0.473 32.179 31.700 0.011 0.000 0.823 314 I N 2.729 123.309 120.570 0.016 0.000 2.307 314 I HA 0.170 4.249 4.170 -0.152 0.000 0.289 314 I C 1.397 177.555 176.117 0.069 0.000 1.021 314 I CA -0.518 60.819 61.300 0.062 0.000 1.224 314 I CB 0.455 38.454 38.000 -0.001 0.000 1.376 314 I HN 0.416 nan 8.210 nan 0.000 0.470 315 A N 6.761 129.641 122.820 0.100 0.000 1.877 315 A HA -0.034 4.194 4.320 -0.152 0.000 0.216 315 A C 0.979 178.588 177.584 0.041 0.000 1.186 315 A CA 1.380 53.451 52.037 0.055 0.000 0.620 315 A CB 0.002 19.028 19.000 0.043 0.000 0.822 315 A HN 0.470 nan 8.150 nan 0.000 0.443 316 V N 1.086 121.033 119.914 0.055 0.000 2.320 316 V HA 0.282 4.311 4.120 -0.152 0.000 0.268 316 V C -2.915 173.203 176.094 0.039 0.000 1.021 316 V CA -1.700 60.623 62.300 0.040 0.000 0.813 316 V CB 1.054 32.899 31.823 0.036 0.000 1.054 316 V HN 0.159 nan 8.190 nan 0.000 0.444 317 P HA 0.221 nan 4.420 nan 0.000 0.271 317 P C -0.473 176.833 177.300 0.010 0.000 1.220 317 P CA 0.055 63.163 63.100 0.013 0.000 0.768 317 P CB 1.078 32.780 31.700 0.003 0.000 0.848 318 V N 4.852 124.770 119.914 0.006 0.000 2.289 318 V HA 0.147 4.176 4.120 -0.152 0.000 0.272 318 V C 0.017 176.108 176.094 -0.005 0.000 1.026 318 V CA -0.638 61.661 62.300 -0.001 0.000 0.807 318 V CB 1.443 33.261 31.823 -0.007 0.000 1.044 318 V HN 0.228 nan 8.190 nan 0.000 0.443 319 V N 4.001 123.913 119.914 -0.003 0.000 2.406 319 V HA 0.945 4.974 4.120 -0.152 0.000 0.272 319 V C 0.824 176.916 176.094 -0.002 0.000 1.043 319 V CA 0.594 62.892 62.300 -0.004 0.000 0.915 319 V CB 0.766 32.587 31.823 -0.004 0.000 0.988 319 V HN 1.028 nan 8.190 nan 0.000 0.466 320 G N 4.120 112.920 108.800 -0.001 0.000 2.320 320 G HA2 0.340 4.209 3.960 -0.152 0.000 0.297 320 G HA3 0.340 4.209 3.960 -0.152 0.000 0.297 320 G C -1.458 173.445 174.900 0.005 0.000 1.344 320 G CA -0.465 44.636 45.100 0.001 0.000 0.851 320 G HN 0.885 nan 8.290 nan 0.000 0.567 321 D N -0.940 119.465 120.400 0.009 0.000 2.345 321 D HA 0.435 4.984 4.640 -0.152 0.000 0.247 321 D C 1.427 177.728 176.300 0.002 0.000 1.108 321 D CA -0.704 53.306 54.000 0.017 0.000 0.894 321 D CB 1.393 42.208 40.800 0.024 0.000 1.203 321 D HN 0.325 nan 8.370 nan 0.000 0.430 322 I N 1.845 122.420 120.570 0.008 0.000 2.226 322 I HA -0.265 3.814 4.170 -0.152 0.000 0.245 322 I C 2.492 178.588 176.117 -0.034 0.000 1.100 322 I CA 1.450 62.741 61.300 -0.015 0.000 1.374 322 I CB -0.348 37.652 38.000 -0.000 0.000 1.057 322 I HN 0.713 nan 8.210 nan 0.000 0.413 323 A N 0.053 122.856 122.820 -0.028 0.000 1.892 323 A HA -0.244 3.984 4.320 -0.152 0.000 0.218 323 A C 2.480 180.043 177.584 -0.035 0.000 1.188 323 A CA 2.476 54.491 52.037 -0.038 0.000 0.631 323 A CB -0.859 18.118 19.000 -0.038 0.000 0.822 323 A HN 0.412 nan 8.150 nan 0.000 0.447 324 S N -0.096 115.588 115.700 -0.025 0.000 2.368 324 S HA -0.107 4.272 4.470 -0.152 0.000 0.224 324 S C 2.288 176.870 174.600 -0.030 0.000 1.029 324 S CA 1.371 59.558 58.200 -0.022 0.000 0.988 324 S CB -0.324 62.869 63.200 -0.012 0.000 0.838 324 S HN 0.622 nan 8.310 nan 0.000 0.462 325 S N 1.407 117.084 115.700 -0.039 0.000 2.368 325 S HA -0.001 4.378 4.470 -0.152 0.000 0.225 325 S C 1.905 176.451 174.600 -0.091 0.000 1.030 325 S CA 1.040 59.207 58.200 -0.055 0.000 0.999 325 S CB -0.273 62.894 63.200 -0.056 0.000 0.844 325 S HN 0.326 nan 8.310 nan 0.000 0.459 326 M N 1.337 120.873 119.600 -0.106 0.000 2.229 326 M HA -0.035 4.353 4.480 -0.152 0.000 0.264 326 M C 2.072 178.324 176.300 -0.081 0.000 1.063 326 M CA 1.208 56.418 55.300 -0.149 0.000 1.114 326 M CB -1.427 31.094 32.600 -0.133 0.000 1.387 326 M HN 0.343 nan 8.290 nan 0.000 0.420 327 Q N -0.439 119.335 119.800 -0.044 0.000 2.061 327 Q HA -0.120 4.128 4.340 -0.152 0.000 0.204 327 Q C 2.183 178.181 176.000 -0.003 0.000 0.984 327 Q CA 1.756 57.551 55.803 -0.014 0.000 0.846 327 Q CB -0.560 28.171 28.738 -0.012 0.000 0.902 327 Q HN 0.662 nan 8.270 nan 0.000 0.421 328 G N 0.467 109.259 108.800 -0.013 0.000 2.421 328 G HA2 -0.243 3.626 3.960 -0.152 0.000 0.216 328 G HA3 -0.243 3.626 3.960 -0.152 0.000 0.216 328 G C 1.364 176.274 174.900 0.016 0.000 1.171 328 G CA 0.852 45.953 45.100 0.001 0.000 0.775 328 G HN 0.139 nan 8.290 nan 0.000 0.543 329 M N 0.130 119.714 119.600 -0.028 0.000 2.108 329 M HA 0.046 4.435 4.480 -0.152 0.000 0.261 329 M C 2.690 179.087 176.300 0.162 0.000 1.066 329 M CA 1.000 56.291 55.300 -0.015 0.000 1.107 329 M CB -1.071 31.323 32.600 -0.343 0.000 1.356 329 M HN 0.192 nan 8.290 nan 0.000 0.406 330 L N -0.240 121.061 121.223 0.131 0.000 2.056 330 L HA -0.159 4.090 4.340 -0.152 0.000 0.207 330 L C 2.794 179.744 176.870 0.134 0.000 1.078 330 L CA 1.160 56.125 54.840 0.208 0.000 0.749 330 L CB -0.807 41.336 42.059 0.139 0.000 0.901 330 L HN 0.270 nan 8.230 nan 0.000 0.433 331 A N -0.144 122.728 122.820 0.086 0.000 1.902 331 A HA -0.268 3.960 4.320 -0.152 0.000 0.217 331 A C 2.185 179.816 177.584 0.079 0.000 1.181 331 A CA 2.019 54.095 52.037 0.066 0.000 0.623 331 A CB -0.475 18.551 19.000 0.044 0.000 0.818 331 A HN 0.407 nan 8.150 nan 0.000 0.443 332 E N -0.398 119.861 120.200 0.098 0.000 2.106 332 E HA -0.137 4.122 4.350 -0.152 0.000 0.192 332 E C 1.777 178.461 176.600 0.141 0.000 0.984 332 E CA 1.144 57.609 56.400 0.108 0.000 0.806 332 E CB -0.354 29.411 29.700 0.110 0.000 0.750 332 E HN 0.417 nan 8.360 nan 0.000 0.458 333 L N 1.255 122.592 121.223 0.189 0.000 2.017 333 L HA -0.121 4.128 4.340 -0.152 0.000 0.208 333 L C 2.269 179.189 176.870 0.082 0.000 1.073 333 L CA 2.238 57.178 54.840 0.168 0.000 0.745 333 L CB -0.620 41.531 42.059 0.153 0.000 0.894 333 L HN 0.125 nan 8.230 nan 0.000 0.432 334 K N -1.359 119.082 120.400 0.068 0.000 2.152 334 K HA -0.217 4.012 4.320 -0.152 0.000 0.206 334 K C 1.942 178.566 176.600 0.040 0.000 1.048 334 K CA 1.569 57.878 56.287 0.037 0.000 0.933 334 K CB -0.027 32.494 32.500 0.036 0.000 0.721 334 K HN 0.405 nan 8.250 nan 0.000 0.447 335 Q N 0.199 120.032 119.800 0.055 0.000 2.269 335 Q HA -0.001 4.248 4.340 -0.152 0.000 0.201 335 Q C -0.061 175.974 176.000 0.058 0.000 0.946 335 Q CA 1.011 56.844 55.803 0.049 0.000 0.877 335 Q CB 0.190 28.957 28.738 0.047 0.000 0.963 335 Q HN 0.377 nan 8.270 nan 0.000 0.472 336 N N 0.624 119.374 118.700 0.083 0.000 2.844 336 N HA 0.100 4.748 4.740 -0.152 0.000 0.268 336 N C -1.050 174.555 175.510 0.159 0.000 1.574 336 N CA -0.135 52.979 53.050 0.106 0.000 0.838 336 N CB 1.219 39.771 38.487 0.109 0.000 1.177 336 N HN 0.003 nan 8.380 nan 0.000 0.495 337 T N -0.831 113.788 114.554 0.108 0.000 2.856 337 T HA 0.536 4.795 4.350 -0.152 0.000 0.306 337 T C -0.060 174.758 174.700 0.197 0.000 1.062 337 T CA -0.311 61.833 62.100 0.074 0.000 1.083 337 T CB 0.340 69.207 68.868 -0.001 0.000 0.984 337 T HN 0.315 nan 8.240 nan 0.000 0.542 338 F N -2.151 117.781 119.950 -0.031 0.000 2.719 338 F HA 0.685 5.122 4.527 -0.150 0.000 0.309 338 F C -0.902 174.875 175.800 -0.038 0.000 1.138 338 F CA -1.127 56.859 58.000 -0.024 0.000 0.943 338 F CB 1.471 40.462 39.000 -0.015 0.000 1.304 338 F HN 0.770 nan 8.300 nan 0.000 0.445 339 T N 1.060 115.636 114.554 0.038 0.000 2.887 339 T HA 0.563 4.821 4.350 -0.152 0.000 0.288 339 T C -0.263 174.573 174.700 0.226 0.000 1.021 339 T CA 0.050 62.126 62.100 -0.039 0.000 1.000 339 T CB 1.178 70.025 68.868 -0.035 0.000 1.034 339 T HN 1.148 nan 8.240 nan 0.000 0.467 340 T N 3.195 117.875 114.554 0.210 0.000 2.903 340 T HA 0.319 4.577 4.350 -0.152 0.000 0.314 340 T C -2.493 172.337 174.700 0.216 0.000 1.078 340 T CA -1.070 61.202 62.100 0.286 0.000 1.114 340 T CB -0.248 68.806 68.868 0.311 0.000 0.987 340 T HN 0.385 nan 8.240 nan 0.000 0.548 341 P HA 0.057 nan 4.420 nan 0.000 0.262 341 P C 0.770 178.188 177.300 0.198 0.000 1.182 341 P CA -0.415 62.790 63.100 0.176 0.000 0.761 341 P CB 0.292 32.086 31.700 0.156 0.000 0.795 342 L N 6.080 127.383 121.223 0.134 0.000 2.079 342 L HA -0.147 4.102 4.340 -0.152 0.000 0.210 342 L C 2.167 179.109 176.870 0.120 0.000 1.081 342 L CA 1.632 56.535 54.840 0.105 0.000 0.752 342 L CB -1.116 40.983 42.059 0.068 0.000 0.896 342 L HN 0.226 nan 8.230 nan 0.000 0.433 343 V N -0.607 119.392 119.914 0.141 0.000 2.287 343 V HA -0.338 3.691 4.120 -0.152 0.000 0.248 343 V C 2.186 178.424 176.094 0.240 0.000 1.053 343 V CA 2.466 64.859 62.300 0.155 0.000 1.027 343 V CB -0.626 31.283 31.823 0.143 0.000 0.646 343 V HN 0.762 nan 8.190 nan 0.000 0.447 344 W N 0.764 122.105 121.300 0.068 0.000 2.355 344 W HA -0.228 4.342 4.660 -0.149 0.000 0.309 344 W C 2.599 179.176 176.519 0.096 0.000 1.206 344 W CA 1.656 59.054 57.345 0.089 0.000 1.284 344 W CB -0.167 29.336 29.460 0.071 0.000 1.145 344 W HN 0.183 nan 8.180 nan 0.000 0.502 345 R N 0.216 120.720 120.500 0.007 0.000 2.091 345 R HA -0.185 4.064 4.340 -0.152 0.000 0.238 345 R C 1.757 177.984 176.300 -0.122 0.000 1.136 345 R CA 2.097 58.105 56.100 -0.153 0.000 0.959 345 R CB -0.626 29.656 30.300 -0.030 0.000 0.856 345 R HN 0.095 nan 8.270 nan 0.000 0.437 346 D N 0.458 120.840 120.400 -0.031 0.000 2.117 346 D HA -0.118 4.430 4.640 -0.152 0.000 0.197 346 D C 1.847 178.115 176.300 -0.053 0.000 0.987 346 D CA 1.111 55.092 54.000 -0.033 0.000 0.829 346 D CB -0.097 40.707 40.800 0.006 0.000 0.961 346 D HN 0.199 nan 8.370 nan 0.000 0.460 347 I N 0.193 120.757 120.570 -0.009 0.000 2.252 347 I HA -0.190 3.889 4.170 -0.152 0.000 0.245 347 I C 2.323 178.367 176.117 -0.122 0.000 1.102 347 I CA 0.425 61.728 61.300 0.005 0.000 1.385 347 I CB -0.060 38.055 38.000 0.191 0.000 1.064 347 I HN -0.021 nan 8.210 nan 0.000 0.414 348 L N 0.531 121.615 121.223 -0.232 0.000 2.013 348 L HA -0.291 3.958 4.340 -0.152 0.000 0.212 348 L C 2.117 178.850 176.870 -0.228 0.000 1.073 348 L CA 2.020 56.667 54.840 -0.321 0.000 0.753 348 L CB -0.736 41.011 42.059 -0.519 0.000 0.890 348 L HN 0.336 nan 8.230 nan 0.000 0.432 349 N N -0.508 118.080 118.700 -0.187 0.000 2.223 349 N HA -0.184 4.464 4.740 -0.152 0.000 0.185 349 N C 1.781 177.200 175.510 -0.152 0.000 1.016 349 N CA 0.749 53.711 53.050 -0.146 0.000 0.863 349 N CB 0.079 38.497 38.487 -0.115 0.000 0.983 349 N HN 0.185 nan 8.380 nan 0.000 0.429 350 I N 0.847 121.312 120.570 -0.175 0.000 2.163 350 I HA -0.250 3.829 4.170 -0.152 0.000 0.243 350 I C 1.707 177.629 176.117 -0.326 0.000 1.085 350 I CA 1.794 62.950 61.300 -0.241 0.000 1.347 350 I CB -1.270 36.559 38.000 -0.286 0.000 1.044 350 I HN 0.260 nan 8.210 nan 0.000 0.408 351 H N 0.581 119.433 119.070 -0.364 0.000 2.395 351 H HA -0.040 4.424 4.556 -0.153 0.000 0.299 351 H C 2.233 177.427 175.328 -0.223 0.000 1.070 351 H CA 1.183 57.007 56.048 -0.373 0.000 1.356 351 H CB 0.063 29.409 29.762 -0.693 0.000 1.401 351 H HN 0.232 nan 8.280 nan 0.000 0.524 352 K N 0.295 120.638 120.400 -0.096 0.000 2.057 352 K HA -0.200 4.029 4.320 -0.152 0.000 0.207 352 K C 2.175 178.729 176.600 -0.077 0.000 1.049 352 K CA 1.283 57.523 56.287 -0.077 0.000 0.931 352 K CB -0.023 32.421 32.500 -0.094 0.000 0.714 352 K HN 0.362 nan 8.250 nan 0.000 0.440 353 Q N 1.217 120.953 119.800 -0.106 0.000 2.050 353 Q HA -0.230 4.019 4.340 -0.152 0.000 0.202 353 Q C 2.050 177.993 176.000 -0.094 0.000 0.980 353 Q CA 1.581 57.322 55.803 -0.103 0.000 0.840 353 Q CB 0.113 28.779 28.738 -0.119 0.000 0.898 353 Q HN 0.353 nan 8.270 nan 0.000 0.424 354 Q N 0.027 119.756 119.800 -0.118 0.000 2.050 354 Q HA -0.176 4.073 4.340 -0.152 0.000 0.202 354 Q C 1.749 177.716 176.000 -0.055 0.000 0.980 354 Q CA 1.911 57.653 55.803 -0.103 0.000 0.840 354 Q CB -0.122 28.527 28.738 -0.148 0.000 0.898 354 Q HN 0.515 nan 8.270 nan 0.000 0.424 355 N N 0.192 118.870 118.700 -0.037 0.000 2.216 355 N HA -0.085 4.564 4.740 -0.152 0.000 0.183 355 N C 1.754 177.278 175.510 0.024 0.000 1.017 355 N CA 0.703 53.751 53.050 -0.003 0.000 0.861 355 N CB -0.102 38.391 38.487 0.009 0.000 0.986 355 N HN 0.189 nan 8.380 nan 0.000 0.428 356 A N 1.472 124.307 122.820 0.025 0.000 1.933 356 A HA -0.246 3.983 4.320 -0.152 0.000 0.218 356 A C 2.164 179.810 177.584 0.103 0.000 1.175 356 A CA 1.286 53.379 52.037 0.093 0.000 0.628 356 A CB -0.669 18.347 19.000 0.026 0.000 0.814 356 A HN 0.377 nan 8.150 nan 0.000 0.444 357 Q N 0.186 119.992 119.800 0.010 0.000 2.030 357 Q HA -0.273 3.976 4.340 -0.152 0.000 0.204 357 Q C 1.885 177.901 176.000 0.026 0.000 0.986 357 Q CA 2.250 58.052 55.803 -0.001 0.000 0.843 357 Q CB -0.265 28.451 28.738 -0.036 0.000 0.904 357 Q HN 0.675 nan 8.270 nan 0.000 0.420 358 K N -0.195 120.208 120.400 0.005 0.000 2.097 358 K HA -0.150 4.079 4.320 -0.152 0.000 0.205 358 K C 2.133 178.716 176.600 -0.029 0.000 1.050 358 K CA 1.445 57.719 56.287 -0.021 0.000 0.938 358 K CB -0.197 32.282 32.500 -0.036 0.000 0.718 358 K HN 0.207 nan 8.250 nan 0.000 0.442 359 M N 0.748 120.363 119.600 0.024 0.000 2.059 359 M HA -0.162 4.227 4.480 -0.152 0.000 0.259 359 M C 1.808 178.127 176.300 0.031 0.000 1.072 359 M CA 1.846 57.165 55.300 0.032 0.000 1.117 359 M CB -0.475 32.181 32.600 0.094 0.000 1.320 359 M HN 0.162 nan 8.290 nan 0.000 0.408 360 H N -0.910 118.168 119.070 0.013 0.000 2.489 360 H HA -0.140 4.322 4.556 -0.157 0.000 0.293 360 H C 1.948 177.281 175.328 0.008 0.000 1.066 360 H CA 1.611 57.673 56.048 0.024 0.000 1.305 360 H CB -0.041 29.730 29.762 0.015 0.000 1.386 360 H HN 0.513 nan 8.280 nan 0.000 0.551 361 E N 1.763 122.013 120.200 0.083 0.000 2.023 361 E HA -0.152 4.107 4.350 -0.152 0.000 0.196 361 E C 2.076 178.668 176.600 -0.013 0.000 1.003 361 E CA 1.525 57.937 56.400 0.020 0.000 0.809 361 E CB 0.070 29.760 29.700 -0.016 0.000 0.755 361 E HN 0.354 nan 8.360 nan 0.000 0.449 362 K N 0.031 120.383 120.400 -0.081 0.000 2.057 362 K HA -0.113 4.115 4.320 -0.152 0.000 0.207 362 K C 2.351 178.971 176.600 0.034 0.000 1.049 362 K CA 1.478 57.688 56.287 -0.127 0.000 0.931 362 K CB -0.316 31.882 32.500 -0.504 0.000 0.714 362 K HN 0.194 nan 8.250 nan 0.000 0.440 363 L N 1.202 122.466 121.223 0.067 0.000 2.083 363 L HA -0.166 4.083 4.340 -0.152 0.000 0.209 363 L C 2.389 179.303 176.870 0.074 0.000 1.083 363 L CA 1.464 56.365 54.840 0.102 0.000 0.752 363 L CB -0.556 41.499 42.059 -0.006 0.000 0.899 363 L HN 0.268 nan 8.230 nan 0.000 0.433 364 S N -2.828 112.906 115.700 0.057 0.000 2.575 364 S HA 0.043 4.422 4.470 -0.152 0.000 0.215 364 S C 0.733 175.359 174.600 0.043 0.000 0.966 364 S CA -0.353 57.880 58.200 0.054 0.000 0.911 364 S CB -0.221 63.017 63.200 0.064 0.000 0.780 364 S HN 0.194 nan 8.310 nan 0.000 0.514 365 T N 3.102 117.681 114.554 0.042 0.000 2.743 365 T HA 0.346 4.604 4.350 -0.152 0.000 0.292 365 T C -0.705 174.018 174.700 0.039 0.000 0.972 365 T CA -0.479 61.641 62.100 0.032 0.000 0.967 365 T CB 1.148 70.027 68.868 0.019 0.000 0.926 365 T HN 0.262 nan 8.240 nan 0.000 0.459 366 D N 2.900 123.317 120.400 0.030 0.000 2.399 366 D HA 0.341 4.890 4.640 -0.152 0.000 0.241 366 D C 0.240 176.556 176.300 0.026 0.000 1.133 366 D CA 0.329 54.344 54.000 0.026 0.000 0.890 366 D CB 0.709 41.519 40.800 0.016 0.000 1.201 366 D HN 0.602 nan 8.370 nan 0.000 0.432 367 T N 0.572 115.140 114.554 0.024 0.000 2.900 367 T HA 0.514 4.773 4.350 -0.152 0.000 0.303 367 T C -1.042 173.665 174.700 0.012 0.000 1.142 367 T CA -1.106 61.008 62.100 0.024 0.000 1.007 367 T CB 1.714 70.605 68.868 0.038 0.000 1.156 367 T HN 0.231 nan 8.240 nan 0.000 0.490 368 Q N 1.874 121.682 119.800 0.012 0.000 2.303 368 Q HA 0.463 4.712 4.340 -0.152 0.000 0.267 368 Q C -2.513 173.497 176.000 0.016 0.000 1.011 368 Q CA -1.333 54.473 55.803 0.005 0.000 0.740 368 Q CB 1.893 30.633 28.738 0.002 0.000 1.250 368 Q HN 0.662 nan 8.270 nan 0.000 0.458 369 P HA 0.256 nan 4.420 nan 0.000 0.274 369 P C -0.005 177.286 177.300 -0.015 0.000 1.256 369 P CA -0.603 62.494 63.100 -0.005 0.000 0.795 369 P CB 0.753 32.456 31.700 0.005 0.000 1.038 370 L N 1.248 122.440 121.223 -0.052 0.000 2.482 370 L HA 0.099 4.348 4.340 -0.152 0.000 0.273 370 L C 1.053 177.885 176.870 -0.064 0.000 1.228 370 L CA 0.005 54.807 54.840 -0.063 0.000 0.827 370 L CB -0.132 41.851 42.059 -0.127 0.000 1.099 370 L HN 0.622 nan 8.230 nan 0.000 0.494 371 N N -0.626 118.067 118.700 -0.011 0.000 2.815 371 N HA 0.170 4.819 4.740 -0.152 0.000 0.315 371 N C 0.253 175.768 175.510 0.008 0.000 1.320 371 N CA -0.592 52.470 53.050 0.020 0.000 0.846 371 N CB 0.199 38.798 38.487 0.188 0.000 1.344 371 N HN 0.334 nan 8.380 nan 0.000 0.593 372 Y N -1.214 119.175 120.300 0.148 0.000 2.293 372 Y HA 0.062 4.520 4.550 -0.154 0.000 0.291 372 Y C 1.458 177.328 175.900 -0.049 0.000 1.137 372 Y CA 1.191 59.329 58.100 0.063 0.000 1.202 372 Y CB -0.351 37.995 38.460 -0.191 0.000 0.990 372 Y HN 0.405 nan 8.280 nan 0.000 0.537 373 F N 0.496 120.590 119.950 0.240 0.000 2.149 373 F HA -0.171 4.263 4.527 -0.154 0.000 0.294 373 F C 2.155 178.013 175.800 0.096 0.000 1.095 373 F CA 1.353 59.437 58.000 0.140 0.000 1.276 373 F CB -0.780 38.277 39.000 0.095 0.000 1.023 373 F HN 0.152 nan 8.300 nan 0.000 0.480 374 N N 0.980 119.831 118.700 0.253 0.000 2.188 374 N HA -0.112 4.537 4.740 -0.152 0.000 0.184 374 N C 1.661 177.227 175.510 0.093 0.000 1.018 374 N CA 1.339 54.472 53.050 0.138 0.000 0.858 374 N CB -1.155 37.389 38.487 0.095 0.000 0.989 374 N HN 0.195 nan 8.380 nan 0.000 0.426 375 A N 1.164 124.032 122.820 0.079 0.000 1.883 375 A HA -0.019 4.209 4.320 -0.152 0.000 0.217 375 A C 2.327 180.010 177.584 0.166 0.000 1.186 375 A CA 1.310 53.372 52.037 0.041 0.000 0.624 375 A CB -1.030 17.891 19.000 -0.132 0.000 0.822 375 A HN 0.313 nan 8.150 nan 0.000 0.444 376 L N -0.816 120.553 121.223 0.244 0.000 2.217 376 L HA -0.099 4.150 4.340 -0.152 0.000 0.211 376 L C 2.821 179.754 176.870 0.105 0.000 1.107 376 L CA 1.082 56.038 54.840 0.193 0.000 0.783 376 L CB -0.287 41.828 42.059 0.093 0.000 0.919 376 L HN 0.469 nan 8.230 nan 0.000 0.442 377 S N -0.177 115.579 115.700 0.094 0.000 2.370 377 S HA -0.215 4.164 4.470 -0.152 0.000 0.226 377 S C 2.162 176.796 174.600 0.057 0.000 1.033 377 S CA 1.378 59.614 58.200 0.061 0.000 1.011 377 S CB -0.052 63.185 63.200 0.061 0.000 0.852 377 S HN 0.479 nan 8.310 nan 0.000 0.457 378 A N 0.635 123.490 122.820 0.058 0.000 1.902 378 A HA -0.010 4.218 4.320 -0.152 0.000 0.217 378 A C 2.305 179.917 177.584 0.047 0.000 1.181 378 A CA 1.714 53.776 52.037 0.041 0.000 0.623 378 A CB -0.965 18.047 19.000 0.021 0.000 0.818 378 A HN 0.433 nan 8.150 nan 0.000 0.443 379 V N 0.145 120.103 119.914 0.074 0.000 2.295 379 V HA -0.283 3.746 4.120 -0.152 0.000 0.246 379 V C 2.642 178.776 176.094 0.067 0.000 1.049 379 V CA 2.336 64.684 62.300 0.080 0.000 1.024 379 V CB -0.847 31.055 31.823 0.131 0.000 0.648 379 V HN 0.678 nan 8.190 nan 0.000 0.447 380 R N 0.106 120.647 120.500 0.067 0.000 2.096 380 R HA -0.232 4.016 4.340 -0.152 0.000 0.240 380 R C 2.068 178.410 176.300 0.070 0.000 1.139 380 R CA 2.317 58.458 56.100 0.068 0.000 0.952 380 R CB -0.481 29.852 30.300 0.055 0.000 0.854 380 R HN 0.523 nan 8.270 nan 0.000 0.436 381 D N -0.220 120.214 120.400 0.056 0.000 2.133 381 D HA -0.155 4.393 4.640 -0.152 0.000 0.195 381 D C 1.916 178.237 176.300 0.035 0.000 0.997 381 D CA 1.489 55.517 54.000 0.047 0.000 0.840 381 D CB -0.186 40.636 40.800 0.037 0.000 0.947 381 D HN 0.146 nan 8.370 nan 0.000 0.452 382 V N 0.751 120.683 119.914 0.031 0.000 2.323 382 V HA -0.146 3.883 4.120 -0.152 0.000 0.244 382 V C 2.603 178.712 176.094 0.025 0.000 1.041 382 V CA 0.933 63.244 62.300 0.018 0.000 1.025 382 V CB -0.414 31.413 31.823 0.006 0.000 0.656 382 V HN 0.196 nan 8.190 nan 0.000 0.451 383 L N -0.523 120.727 121.223 0.046 0.000 2.141 383 L HA -0.127 4.122 4.340 -0.152 0.000 0.209 383 L C 2.753 179.659 176.870 0.060 0.000 1.094 383 L CA 1.317 56.192 54.840 0.058 0.000 0.763 383 L CB -0.652 41.455 42.059 0.079 0.000 0.908 383 L HN 0.249 nan 8.230 nan 0.000 0.437 384 R N 0.229 120.771 120.500 0.070 0.000 2.154 384 R HA -0.167 4.082 4.340 -0.152 0.000 0.248 384 R C 1.413 177.658 176.300 -0.091 0.000 1.155 384 R CA 1.190 57.301 56.100 0.018 0.000 0.979 384 R CB -0.089 30.236 30.300 0.042 0.000 0.869 384 R HN 0.385 nan 8.270 nan 0.000 0.452 385 E N -0.303 119.871 120.200 -0.042 0.000 2.463 385 E HA 0.086 4.345 4.350 -0.152 0.000 0.193 385 E C -0.237 176.338 176.600 -0.041 0.000 1.041 385 E CA 0.158 56.526 56.400 -0.052 0.000 0.879 385 E CB 0.423 30.107 29.700 -0.027 0.000 0.997 385 E HN 0.272 nan 8.360 nan 0.000 0.478 386 N N 1.324 120.006 118.700 -0.031 0.000 2.687 386 N HA 0.098 4.747 4.740 -0.152 0.000 0.275 386 N C 0.211 175.717 175.510 -0.007 0.000 1.789 386 N CA 0.044 53.088 53.050 -0.011 0.000 0.806 386 N CB 0.971 39.464 38.487 0.009 0.000 1.256 386 N HN 0.073 nan 8.380 nan 0.000 0.500 387 Q N 0.091 119.868 119.800 -0.039 0.000 2.482 387 Q HA -0.054 4.195 4.340 -0.152 0.000 0.209 387 Q C 0.803 176.795 176.000 -0.014 0.000 0.961 387 Q CA 0.720 56.508 55.803 -0.026 0.000 0.945 387 Q CB 0.167 28.845 28.738 -0.102 0.000 1.012 387 Q HN 0.443 nan 8.270 nan 0.000 0.515 388 D N 0.544 120.940 120.400 -0.006 0.000 2.349 388 D HA -0.045 4.504 4.640 -0.152 0.000 0.224 388 D C 0.759 177.078 176.300 0.031 0.000 1.029 388 D CA -0.038 53.967 54.000 0.008 0.000 0.879 388 D CB -0.204 40.614 40.800 0.031 0.000 0.906 388 D HN 0.266 nan 8.370 nan 0.000 0.528 389 I N -2.225 118.363 120.570 0.029 0.000 2.764 389 I HA 0.364 4.442 4.170 -0.152 0.000 0.294 389 I C -0.583 175.551 176.117 0.027 0.000 1.045 389 I CA -1.109 60.247 61.300 0.094 0.000 1.340 389 I CB 0.303 38.357 38.000 0.090 0.000 1.436 389 I HN -0.308 nan 8.210 nan 0.000 0.567 390 Y N 3.604 123.935 120.300 0.052 0.000 2.361 390 Y HA 0.630 5.096 4.550 -0.140 0.000 0.332 390 Y C -0.395 175.542 175.900 0.060 0.000 1.101 390 Y CA -0.611 57.523 58.100 0.055 0.000 1.137 390 Y CB 1.695 40.186 38.460 0.051 0.000 1.207 390 Y HN 0.559 nan 8.280 nan 0.000 0.463 391 L N 4.215 125.535 121.223 0.163 0.000 2.298 391 L HA 0.646 4.895 4.340 -0.152 0.000 0.284 391 L C -1.242 175.707 176.870 0.133 0.000 1.013 391 L CA -0.497 54.416 54.840 0.122 0.000 0.824 391 L CB 0.801 42.901 42.059 0.069 0.000 1.221 391 L HN 0.408 nan 8.230 nan 0.000 0.418 392 V N 5.642 125.637 119.914 0.135 0.000 2.532 392 V HA 0.534 4.563 4.120 -0.152 0.000 0.295 392 V C -0.232 175.912 176.094 0.084 0.000 1.041 392 V CA -0.664 61.718 62.300 0.136 0.000 0.926 392 V CB 1.713 33.636 31.823 0.167 0.000 0.992 392 V HN 0.892 nan 8.190 nan 0.000 0.457 393 N N 2.984 121.722 118.700 0.063 0.000 2.406 393 N HA 0.494 5.142 4.740 -0.152 0.000 0.283 393 N C -1.583 173.917 175.510 -0.016 0.000 1.074 393 N CA -0.445 52.609 53.050 0.007 0.000 0.916 393 N CB 2.352 40.831 38.487 -0.014 0.000 1.639 393 N HN 0.962 nan 8.380 nan 0.000 0.485 394 E N 2.115 122.291 120.200 -0.041 0.000 2.407 394 E HA 0.713 4.972 4.350 -0.152 0.000 0.279 394 E C -0.454 176.108 176.600 -0.063 0.000 1.012 394 E CA -0.999 55.362 56.400 -0.066 0.000 0.800 394 E CB 2.034 31.673 29.700 -0.101 0.000 1.276 394 E HN 0.730 nan 8.360 nan 0.000 0.452 395 G N -0.327 108.427 108.800 -0.078 0.000 2.325 395 G HA2 0.380 4.249 3.960 -0.152 0.000 0.285 395 G HA3 0.380 4.249 3.960 -0.152 0.000 0.285 395 G C -0.263 174.593 174.900 -0.072 0.000 1.303 395 G CA 0.038 45.097 45.100 -0.067 0.000 0.970 395 G HN 0.960 nan 8.290 nan 0.000 0.490 396 A N -0.728 122.056 122.820 -0.061 0.000 2.164 396 A HA 0.460 4.689 4.320 -0.152 0.000 0.218 396 A C 1.828 179.369 177.584 -0.071 0.000 2.050 396 A CA 1.404 53.441 52.037 -0.001 0.000 0.910 396 A CB -0.637 18.440 19.000 0.129 0.000 1.391 396 A HN 0.753 nan 8.150 nan 0.000 0.614 397 N N 0.290 118.909 118.700 -0.135 0.000 2.104 397 N HA -0.108 4.540 4.740 -0.152 0.000 0.190 397 N C 1.524 176.697 175.510 -0.562 0.000 1.024 397 N CA 2.111 54.875 53.050 -0.476 0.000 0.853 397 N CB -0.361 37.609 38.487 -0.861 0.000 1.008 397 N HN 0.489 nan 8.380 nan 0.000 0.424 398 T N 0.691 115.068 114.554 -0.295 0.000 2.833 398 T HA -0.083 4.175 4.350 -0.152 0.000 0.269 398 T C 1.760 176.296 174.700 -0.272 0.000 1.054 398 T CA 0.627 62.572 62.100 -0.258 0.000 1.135 398 T CB -0.223 68.559 68.868 -0.143 0.000 0.869 398 T HN 0.122 nan 8.240 nan 0.000 0.466 399 L N 1.386 122.499 121.223 -0.184 0.000 2.034 399 L HA 0.027 4.276 4.340 -0.152 0.000 0.203 399 L C 1.927 178.715 176.870 -0.136 0.000 1.074 399 L CA 1.834 56.594 54.840 -0.132 0.000 0.748 399 L CB -0.632 41.382 42.059 -0.076 0.000 0.905 399 L HN 0.007 nan 8.230 nan 0.000 0.439 400 D N -0.243 120.074 120.400 -0.139 0.000 2.097 400 D HA -0.184 4.365 4.640 -0.152 0.000 0.195 400 D C 1.890 178.096 176.300 -0.157 0.000 0.989 400 D CA 1.815 55.745 54.000 -0.117 0.000 0.827 400 D CB -0.336 40.409 40.800 -0.091 0.000 0.966 400 D HN 0.501 nan 8.370 nan 0.000 0.456 401 N N 0.708 119.254 118.700 -0.257 0.000 2.142 401 N HA -0.083 4.566 4.740 -0.152 0.000 0.186 401 N C 1.823 177.205 175.510 -0.214 0.000 1.023 401 N CA 1.219 54.089 53.050 -0.301 0.000 0.852 401 N CB -0.051 38.138 38.487 -0.497 0.000 0.998 401 N HN 0.083 nan 8.380 nan 0.000 0.424 402 A N 1.275 123.967 122.820 -0.214 0.000 1.933 402 A HA -0.132 4.097 4.320 -0.152 0.000 0.218 402 A C 2.101 179.627 177.584 -0.097 0.000 1.175 402 A CA 1.138 53.080 52.037 -0.158 0.000 0.628 402 A CB -0.505 18.382 19.000 -0.188 0.000 0.814 402 A HN 0.208 nan 8.150 nan 0.000 0.444 403 R N -0.179 120.267 120.500 -0.091 0.000 2.091 403 R HA -0.168 4.081 4.340 -0.152 0.000 0.238 403 R C 1.640 177.911 176.300 -0.048 0.000 1.136 403 R CA 1.860 57.925 56.100 -0.058 0.000 0.959 403 R CB -0.278 29.991 30.300 -0.053 0.000 0.856 403 R HN 0.531 nan 8.270 nan 0.000 0.437 404 N N 0.216 118.884 118.700 -0.052 0.000 2.216 404 N HA -0.088 4.561 4.740 -0.152 0.000 0.183 404 N C 1.788 177.286 175.510 -0.020 0.000 1.017 404 N CA 1.297 54.331 53.050 -0.027 0.000 0.861 404 N CB 0.006 38.490 38.487 -0.004 0.000 0.986 404 N HN 0.329 nan 8.380 nan 0.000 0.428 405 I N 0.432 120.981 120.570 -0.035 0.000 2.731 405 I HA 0.026 4.105 4.170 -0.152 0.000 0.260 405 I C 0.146 176.252 176.117 -0.017 0.000 1.138 405 I CA 0.274 61.560 61.300 -0.023 0.000 1.461 405 I CB 0.280 38.264 38.000 -0.027 0.000 1.128 405 I HN -0.102 nan 8.210 nan 0.000 0.438 406 I N 2.854 123.412 120.570 -0.021 0.000 2.308 406 I HA 0.083 4.162 4.170 -0.152 0.000 0.293 406 I C -0.366 175.738 176.117 -0.023 0.000 1.078 406 I CA -0.093 61.206 61.300 -0.002 0.000 1.292 406 I CB -0.542 37.461 38.000 0.005 0.000 1.423 406 I HN 0.061 nan 8.210 nan 0.000 0.493 407 D N 7.301 127.677 120.400 -0.040 0.000 2.389 407 D HA 0.193 4.742 4.640 -0.152 0.000 0.247 407 D C 0.322 176.500 176.300 -0.204 0.000 1.128 407 D CA 0.016 53.920 54.000 -0.161 0.000 0.884 407 D CB 1.314 41.945 40.800 -0.282 0.000 1.194 407 D HN 0.231 nan 8.370 nan 0.000 0.441 408 M N 2.164 121.635 119.600 -0.216 0.000 2.264 408 M HA 0.145 4.534 4.480 -0.152 0.000 0.352 408 M C 0.139 176.273 176.300 -0.277 0.000 1.173 408 M CA -0.435 54.783 55.300 -0.136 0.000 1.075 408 M CB 0.983 33.553 32.600 -0.050 0.000 1.621 408 M HN 0.433 nan 8.290 nan 0.000 0.457 409 Y N 0.181 120.486 120.300 0.007 0.000 2.444 409 Y HA 0.280 4.834 4.550 0.007 0.000 0.252 409 Y C 0.415 176.313 175.900 -0.004 0.000 1.091 409 Y CA 0.190 58.298 58.100 0.014 0.000 1.276 409 Y CB 0.811 39.275 38.460 0.007 0.000 1.170 409 Y HN 0.452 nan 8.280 nan 0.000 0.517 410 K N 0.760 121.217 120.400 0.095 0.000 2.435 410 K HA 0.374 4.603 4.320 -0.152 0.000 0.251 410 K C -2.940 173.644 176.600 -0.027 0.000 0.954 410 K CA -2.098 54.200 56.287 0.019 0.000 0.820 410 K CB 2.160 34.647 32.500 -0.021 0.000 1.292 410 K HN -0.270 nan 8.250 nan 0.000 0.436 411 P HA 0.164 nan 4.420 nan 0.000 0.276 411 P C -0.906 176.355 177.300 -0.065 0.000 1.244 411 P CA -0.213 62.861 63.100 -0.042 0.000 0.801 411 P CB 0.481 32.148 31.700 -0.055 0.000 1.006 412 R N -0.161 120.332 120.500 -0.011 0.000 3.422 412 R HA -0.161 4.088 4.340 -0.152 0.000 0.267 412 R C 0.621 176.932 176.300 0.018 0.000 1.074 412 R CA 0.257 56.372 56.100 0.024 0.000 0.718 412 R CB -1.198 28.992 30.300 -0.184 0.000 1.157 412 R HN 0.458 nan 8.270 nan 0.000 0.440 413 R N 0.039 120.511 120.500 -0.047 0.000 2.446 413 R HA 0.154 4.403 4.340 -0.152 0.000 0.254 413 R C 0.579 176.883 176.300 0.007 0.000 0.918 413 R CA -0.008 55.954 56.100 -0.230 0.000 1.069 413 R CB 0.503 30.594 30.300 -0.348 0.000 1.194 413 R HN 0.213 nan 8.270 nan 0.000 0.534 414 R N 0.965 121.517 120.500 0.087 0.000 2.387 414 R HA 0.485 4.734 4.340 -0.152 0.000 0.314 414 R C -1.168 175.178 176.300 0.076 0.000 0.958 414 R CA -0.337 55.812 56.100 0.081 0.000 0.846 414 R CB 0.720 31.050 30.300 0.050 0.000 1.147 414 R HN -0.098 nan 8.270 nan 0.000 0.447 415 L N 4.829 126.095 121.223 0.071 0.000 2.381 415 L HA 0.496 4.745 4.340 -0.152 0.000 0.274 415 L C -0.801 176.161 176.870 0.154 0.000 0.988 415 L CA -0.756 54.094 54.840 0.017 0.000 0.824 415 L CB 1.866 43.887 42.059 -0.063 0.000 1.263 415 L HN 0.806 nan 8.230 nan 0.000 0.410 416 D N 0.040 120.540 120.400 0.167 0.000 2.867 416 D HA 0.195 4.743 4.640 -0.152 0.000 0.308 416 D C 0.629 177.001 176.300 0.120 0.000 1.202 416 D CA -0.561 53.517 54.000 0.129 0.000 1.035 416 D CB 0.863 41.690 40.800 0.045 0.000 1.427 416 D HN 0.346 nan 8.370 nan 0.000 0.570 417 C N -0.017 119.291 119.300 0.014 0.000 2.403 417 C HA 0.400 4.769 4.460 -0.152 0.000 0.282 417 C C 1.729 176.742 174.990 0.038 0.000 1.297 417 C CA 1.035 60.034 59.018 -0.032 0.000 1.785 417 C CB -1.908 25.812 27.740 -0.035 0.000 1.963 417 C HN 0.944 nan 8.230 nan 0.000 0.507 418 G N 0.061 108.901 108.800 0.066 0.000 2.645 418 G HA2 -0.297 3.572 3.960 -0.152 0.000 0.246 418 G HA3 -0.297 3.572 3.960 -0.152 0.000 0.246 418 G C 0.570 175.534 174.900 0.106 0.000 1.322 418 G CA 0.288 45.415 45.100 0.045 0.000 0.898 418 G HN 0.244 nan 8.290 nan 0.000 0.573 419 T N -0.576 114.006 114.554 0.046 0.000 2.833 419 T HA -0.076 4.183 4.350 -0.152 0.000 0.269 419 T C 1.533 176.501 174.700 0.446 0.000 1.054 419 T CA 2.272 64.469 62.100 0.163 0.000 1.135 419 T CB -0.107 68.734 68.868 -0.044 0.000 0.869 419 T HN 0.424 nan 8.240 nan 0.000 0.466 420 W N 1.202 122.558 121.300 0.094 0.000 3.353 420 W HA 0.464 5.032 4.660 -0.152 0.000 0.304 420 W C 1.427 177.933 176.519 -0.022 0.000 1.273 420 W CA -0.875 56.483 57.345 0.021 0.000 1.773 420 W CB -0.808 28.631 29.460 -0.036 0.000 1.095 420 W HN 0.367 nan 8.180 nan 0.000 0.676 421 G N 1.769 110.724 108.800 0.259 0.000 2.366 421 G HA2 -0.266 3.603 3.960 -0.152 0.000 0.299 421 G HA3 -0.266 3.603 3.960 -0.152 0.000 0.299 421 G C -0.044 174.827 174.900 -0.048 0.000 1.020 421 G CA 0.227 45.395 45.100 0.113 0.000 1.026 421 G HN -0.010 nan 8.290 nan 0.000 0.512 422 V N 2.263 122.136 119.914 -0.070 0.000 2.508 422 V HA 0.314 4.343 4.120 -0.152 0.000 0.281 422 V C 0.984 176.868 176.094 -0.350 0.000 1.041 422 V CA -0.221 61.953 62.300 -0.210 0.000 1.016 422 V CB 1.135 32.842 31.823 -0.195 0.000 0.984 422 V HN 0.428 nan 8.190 nan 0.000 0.478 423 M N 3.974 123.262 119.600 -0.520 0.000 2.180 423 M HA 0.485 4.874 4.480 -0.152 0.000 0.358 423 M C 1.079 176.944 176.300 -0.726 0.000 1.233 423 M CA 0.254 55.140 55.300 -0.690 0.000 1.114 423 M CB 0.250 32.202 32.600 -1.080 0.000 1.594 423 M HN 0.953 nan 8.290 nan 0.000 0.467 424 G N 2.815 111.352 108.800 -0.439 0.000 2.273 424 G HA2 -0.174 3.695 3.960 -0.152 0.000 0.162 424 G HA3 -0.174 3.695 3.960 -0.152 0.000 0.162 424 G C 0.302 175.003 174.900 -0.331 0.000 1.006 424 G CA 0.124 45.099 45.100 -0.208 0.000 0.704 424 G HN 0.687 nan 8.290 nan 0.000 0.487 425 I N 0.284 120.447 120.570 -0.679 0.000 3.428 425 I HA 0.445 4.524 4.170 -0.152 0.000 0.286 425 I C 2.112 177.867 176.117 -0.603 0.000 1.287 425 I CA 1.128 61.771 61.300 -1.095 0.000 1.396 425 I CB -0.797 36.211 38.000 -1.654 0.000 1.062 425 I HN 0.091 nan 8.210 nan 0.000 0.471 426 G N 1.153 109.796 108.800 -0.262 0.000 2.414 426 G HA2 -0.138 3.731 3.960 -0.152 0.000 0.215 426 G HA3 -0.138 3.731 3.960 -0.152 0.000 0.215 426 G C 1.455 176.383 174.900 0.047 0.000 1.188 426 G CA 0.940 46.004 45.100 -0.061 0.000 0.783 426 G HN 0.266 nan 8.290 nan 0.000 0.537 427 M N 1.156 120.792 119.600 0.060 0.000 2.200 427 M HA 0.073 4.462 4.480 -0.152 0.000 0.265 427 M C 2.807 179.222 176.300 0.192 0.000 1.066 427 M CA 1.164 56.543 55.300 0.131 0.000 1.127 427 M CB -1.641 31.023 32.600 0.107 0.000 1.379 427 M HN 0.267 nan 8.290 nan 0.000 0.420 428 G N -0.775 108.143 108.800 0.197 0.000 2.421 428 G HA2 -0.223 3.646 3.960 -0.152 0.000 0.216 428 G HA3 -0.223 3.646 3.960 -0.152 0.000 0.216 428 G C 1.357 176.430 174.900 0.287 0.000 1.171 428 G CA 0.438 45.699 45.100 0.268 0.000 0.775 428 G HN 0.280 nan 8.290 nan 0.000 0.543 429 Y N 1.446 121.778 120.300 0.054 0.000 2.165 429 Y HA -0.035 4.424 4.550 -0.151 0.000 0.286 429 Y C 3.141 179.053 175.900 0.020 0.000 1.155 429 Y CA 0.251 58.355 58.100 0.007 0.000 1.164 429 Y CB -1.074 37.377 38.460 -0.017 0.000 0.978 429 Y HN 0.279 nan 8.280 nan 0.000 0.513 430 A N 0.076 123.026 122.820 0.217 0.000 1.877 430 A HA -0.150 4.079 4.320 -0.152 0.000 0.216 430 A C 2.393 180.041 177.584 0.106 0.000 1.186 430 A CA 1.668 53.791 52.037 0.145 0.000 0.620 430 A CB -1.049 18.039 19.000 0.146 0.000 0.822 430 A HN 0.403 nan 8.150 nan 0.000 0.443 431 I N -0.300 120.356 120.570 0.143 0.000 2.179 431 I HA -0.193 3.886 4.170 -0.152 0.000 0.242 431 I C 2.718 178.904 176.117 0.114 0.000 1.088 431 I CA 1.167 62.548 61.300 0.136 0.000 1.357 431 I CB -0.617 37.503 38.000 0.199 0.000 1.051 431 I HN 0.393 nan 8.210 nan 0.000 0.409 432 G N 0.399 109.231 108.800 0.054 0.000 2.418 432 G HA2 -0.242 3.627 3.960 -0.152 0.000 0.217 432 G HA3 -0.242 3.627 3.960 -0.152 0.000 0.217 432 G C 1.853 176.715 174.900 -0.063 0.000 1.158 432 G CA 0.855 45.911 45.100 -0.074 0.000 0.771 432 G HN 0.493 nan 8.290 nan 0.000 0.545 433 A N 0.457 123.209 122.820 -0.113 0.000 1.898 433 A HA 0.005 4.233 4.320 -0.152 0.000 0.216 433 A C 2.647 180.013 177.584 -0.363 0.000 1.181 433 A CA 2.314 54.159 52.037 -0.320 0.000 0.620 433 A CB -0.845 17.971 19.000 -0.306 0.000 0.819 433 A HN 0.427 nan 8.150 nan 0.000 0.442 434 S N -0.644 114.958 115.700 -0.163 0.000 2.356 434 S HA -0.127 4.252 4.470 -0.152 0.000 0.223 434 S C 1.939 176.498 174.600 -0.069 0.000 1.032 434 S CA 1.666 59.805 58.200 -0.102 0.000 1.005 434 S CB -0.518 62.675 63.200 -0.011 0.000 0.867 434 S HN 0.289 nan 8.310 nan 0.000 0.449 435 V N 1.473 121.379 119.914 -0.013 0.000 2.343 435 V HA -0.151 3.878 4.120 -0.152 0.000 0.247 435 V C 2.679 178.766 176.094 -0.012 0.000 1.051 435 V CA 2.341 64.643 62.300 0.003 0.000 1.036 435 V CB -1.421 30.446 31.823 0.072 0.000 0.654 435 V HN 0.553 nan 8.190 nan 0.000 0.451 436 T N 0.311 114.858 114.554 -0.013 0.000 2.746 436 T HA -0.165 4.094 4.350 -0.152 0.000 0.267 436 T C 2.008 176.667 174.700 -0.069 0.000 1.039 436 T CA 2.044 64.124 62.100 -0.033 0.000 1.142 436 T CB -0.243 68.594 68.868 -0.053 0.000 0.866 436 T HN 0.725 nan 8.240 nan 0.000 0.444 437 S N -0.194 115.422 115.700 -0.140 0.000 2.483 437 S HA 0.366 4.744 4.470 -0.152 0.000 0.221 437 S C 1.984 176.568 174.600 -0.025 0.000 1.030 437 S CA 0.776 58.917 58.200 -0.098 0.000 0.925 437 S CB -0.100 62.943 63.200 -0.261 0.000 0.795 437 S HN 0.686 nan 8.310 nan 0.000 0.511 438 G N 0.849 109.626 108.800 -0.039 0.000 2.175 438 G HA2 -0.255 3.613 3.960 -0.152 0.000 0.265 438 G HA3 -0.255 3.613 3.960 -0.152 0.000 0.265 438 G C 0.159 175.075 174.900 0.026 0.000 0.979 438 G CA 0.502 45.601 45.100 -0.002 0.000 0.663 438 G HN 0.696 nan 8.290 nan 0.000 0.533 439 S N 1.039 116.762 115.700 0.037 0.000 2.687 439 S HA 0.686 5.064 4.470 -0.152 0.000 0.283 439 S C -2.184 172.478 174.600 0.103 0.000 1.170 439 S CA -1.087 57.179 58.200 0.111 0.000 1.008 439 S CB 1.999 65.360 63.200 0.269 0.000 1.026 439 S HN 0.176 nan 8.310 nan 0.000 0.541 440 P HA 0.302 nan 4.420 nan 0.000 0.272 440 P C -1.258 176.136 177.300 0.157 0.000 1.223 440 P CA -0.326 62.840 63.100 0.110 0.000 0.784 440 P CB 0.414 32.168 31.700 0.090 0.000 0.923 441 V N 2.765 122.756 119.914 0.129 0.000 2.680 441 V HA 0.376 4.405 4.120 -0.152 0.000 0.309 441 V C -0.123 176.047 176.094 0.126 0.000 1.052 441 V CA -0.707 61.685 62.300 0.154 0.000 0.908 441 V CB 2.389 34.287 31.823 0.125 0.000 1.001 441 V HN 0.195 nan 8.190 nan 0.000 0.431 442 V N 3.294 123.286 119.914 0.130 0.000 2.409 442 V HA 0.745 4.774 4.120 -0.152 0.000 0.291 442 V C 0.259 176.420 176.094 0.111 0.000 1.020 442 V CA -0.516 61.849 62.300 0.107 0.000 0.848 442 V CB 1.644 33.522 31.823 0.090 0.000 0.990 442 V HN 0.999 nan 8.190 nan 0.000 0.430 443 A N 6.666 129.552 122.820 0.109 0.000 2.258 443 A HA 0.780 5.009 4.320 -0.152 0.000 0.316 443 A C -0.420 177.220 177.584 0.093 0.000 1.279 443 A CA -0.405 51.697 52.037 0.109 0.000 0.876 443 A CB 0.214 19.294 19.000 0.133 0.000 1.170 443 A HN 0.803 nan 8.150 nan 0.000 0.520 444 I N 3.359 123.967 120.570 0.063 0.000 2.291 444 I HA 0.234 4.313 4.170 -0.152 0.000 0.290 444 I C -0.307 175.809 176.117 -0.001 0.000 1.050 444 I CA -0.086 61.233 61.300 0.031 0.000 1.245 444 I CB 0.742 38.709 38.000 -0.054 0.000 1.405 444 I HN 0.568 nan 8.210 nan 0.000 0.478 445 E N 5.141 125.377 120.200 0.060 0.000 2.187 445 E HA 0.370 4.629 4.350 -0.152 0.000 0.268 445 E C 0.104 176.753 176.600 0.081 0.000 0.896 445 E CA -0.555 55.886 56.400 0.068 0.000 0.766 445 E CB 2.384 32.163 29.700 0.131 0.000 1.142 445 E HN 0.675 nan 8.360 nan 0.000 0.408 446 G N 1.919 110.754 108.800 0.059 0.000 2.554 446 G HA2 -0.047 3.822 3.960 -0.152 0.000 0.238 446 G HA3 -0.047 3.822 3.960 -0.152 0.000 0.238 446 G C 0.798 175.747 174.900 0.083 0.000 1.259 446 G CA -0.190 44.969 45.100 0.098 0.000 0.843 446 G HN 0.534 nan 8.290 nan 0.000 0.582 447 D N 0.313 120.752 120.400 0.064 0.000 2.117 447 D HA -0.179 4.370 4.640 -0.152 0.000 0.198 447 D C 2.201 178.544 176.300 0.072 0.000 0.982 447 D CA 1.477 55.454 54.000 -0.039 0.000 0.828 447 D CB -0.654 40.153 40.800 0.011 0.000 0.967 447 D HN 0.353 nan 8.370 nan 0.000 0.464 448 S N 0.477 116.244 115.700 0.111 0.000 2.348 448 S HA -0.086 4.293 4.470 -0.152 0.000 0.221 448 S C 2.233 177.000 174.600 0.278 0.000 1.033 448 S CA 1.862 60.154 58.200 0.152 0.000 1.010 448 S CB -0.679 62.589 63.200 0.114 0.000 0.891 448 S HN 0.422 nan 8.310 nan 0.000 0.442 449 A N 1.001 123.946 122.820 0.209 0.000 1.903 449 A HA -0.122 4.107 4.320 -0.152 0.000 0.219 449 A C 2.045 179.787 177.584 0.263 0.000 1.191 449 A CA 2.038 54.192 52.037 0.195 0.000 0.638 449 A CB -1.375 17.642 19.000 0.029 0.000 0.823 449 A HN 0.724 nan 8.150 nan 0.000 0.451 450 F N 1.310 121.285 119.950 0.041 0.000 2.161 450 F HA -0.089 4.347 4.527 -0.152 0.000 0.300 450 F C 2.264 178.088 175.800 0.041 0.000 1.089 450 F CA 1.525 59.521 58.000 -0.007 0.000 1.282 450 F CB -0.777 38.129 39.000 -0.157 0.000 1.010 450 F HN 0.192 nan 8.300 nan 0.000 0.485 451 G N -0.650 108.144 108.800 -0.010 0.000 2.479 451 G HA2 -0.297 3.572 3.960 -0.152 0.000 0.220 451 G HA3 -0.297 3.572 3.960 -0.152 0.000 0.220 451 G C 1.493 176.239 174.900 -0.258 0.000 1.115 451 G CA 0.857 45.868 45.100 -0.148 0.000 0.757 451 G HN 0.426 nan 8.290 nan 0.000 0.560 452 F N 1.334 121.173 119.950 -0.185 0.000 2.407 452 F HA 0.063 4.499 4.527 -0.152 0.000 0.299 452 F C 2.422 178.093 175.800 -0.214 0.000 1.097 452 F CA 1.310 59.206 58.000 -0.174 0.000 1.422 452 F CB 0.320 39.235 39.000 -0.142 0.000 1.067 452 F HN 0.251 nan 8.300 nan 0.000 0.539 453 S N -2.012 113.611 115.700 -0.128 0.000 2.960 453 S HA 0.280 4.659 4.470 -0.152 0.000 0.256 453 S C 1.694 176.123 174.600 -0.284 0.000 1.017 453 S CA 0.096 58.207 58.200 -0.147 0.000 1.144 453 S CB -0.310 62.861 63.200 -0.049 0.000 1.109 453 S HN 0.197 nan 8.310 nan 0.000 0.638 454 G N 2.367 110.834 108.800 -0.555 0.000 2.448 454 G HA2 -0.100 3.769 3.960 -0.152 0.000 0.219 454 G HA3 -0.100 3.769 3.960 -0.152 0.000 0.219 454 G C 1.325 176.103 174.900 -0.203 0.000 1.127 454 G CA 0.849 45.445 45.100 -0.841 0.000 0.766 454 G HN 0.434 nan 8.290 nan 0.000 0.552 455 M N 0.907 120.455 119.600 -0.086 0.000 2.446 455 M HA 0.019 4.408 4.480 -0.152 0.000 0.263 455 M C 1.910 178.192 176.300 -0.031 0.000 1.066 455 M CA 0.568 55.877 55.300 0.015 0.000 1.087 455 M CB -0.621 32.002 32.600 0.039 0.000 1.406 455 M HN 0.203 nan 8.290 nan 0.000 0.459 456 E N 0.581 120.773 120.200 -0.014 0.000 2.515 456 E HA -0.097 4.162 4.350 -0.152 0.000 0.201 456 E C 1.881 178.468 176.600 -0.022 0.000 1.071 456 E CA 0.542 56.943 56.400 0.001 0.000 0.880 456 E CB -0.642 29.117 29.700 0.100 0.000 0.828 456 E HN 0.726 nan 8.360 nan 0.000 0.540 457 I N -0.917 119.669 120.570 0.025 0.000 2.335 457 I HA -0.197 3.882 4.170 -0.152 0.000 0.251 457 I C 2.316 178.342 176.117 -0.151 0.000 1.129 457 I CA 1.434 62.776 61.300 0.070 0.000 1.402 457 I CB -0.262 37.904 38.000 0.276 0.000 1.069 457 I HN -0.120 nan 8.210 nan 0.000 0.424 458 E N 1.861 121.752 120.200 -0.515 0.000 2.077 458 E HA -0.191 4.068 4.350 -0.152 0.000 0.193 458 E C 2.085 178.431 176.600 -0.423 0.000 0.989 458 E CA 2.267 58.127 56.400 -0.901 0.000 0.800 458 E CB -0.260 28.603 29.700 -1.395 0.000 0.746 458 E HN 0.611 nan 8.360 nan 0.000 0.452 459 T N 1.723 116.110 114.554 -0.277 0.000 2.684 459 T HA -0.126 4.133 4.350 -0.152 0.000 0.267 459 T C 2.118 176.768 174.700 -0.083 0.000 1.036 459 T CA 1.533 63.516 62.100 -0.195 0.000 1.148 459 T CB -0.256 68.478 68.868 -0.224 0.000 0.863 459 T HN 0.182 nan 8.240 nan 0.000 0.436 460 I N 0.817 121.359 120.570 -0.047 0.000 2.163 460 I HA -0.232 3.847 4.170 -0.152 0.000 0.243 460 I C 2.700 178.824 176.117 0.013 0.000 1.085 460 I CA 1.014 62.330 61.300 0.027 0.000 1.347 460 I CB -0.516 37.519 38.000 0.058 0.000 1.044 460 I HN 0.337 nan 8.210 nan 0.000 0.408 461 C N 0.055 119.335 119.300 -0.032 0.000 2.429 461 C HA -0.146 4.223 4.460 -0.152 0.000 0.277 461 C C 2.949 177.886 174.990 -0.088 0.000 1.262 461 C CA 0.759 59.766 59.018 -0.019 0.000 1.733 461 C CB -1.184 26.576 27.740 0.034 0.000 2.010 461 C HN 0.456 nan 8.230 nan 0.000 0.483 462 R N -0.280 120.088 120.500 -0.220 0.000 2.105 462 R HA -0.160 4.089 4.340 -0.152 0.000 0.239 462 R C 1.228 177.240 176.300 -0.480 0.000 1.135 462 R CA 1.864 57.723 56.100 -0.402 0.000 0.967 462 R CB -0.244 29.687 30.300 -0.615 0.000 0.861 462 R HN 0.627 nan 8.270 nan 0.000 0.442 463 Y N -0.041 120.223 120.300 -0.060 0.000 2.468 463 Y HA 0.203 4.661 4.550 -0.152 0.000 0.268 463 Y C 0.255 176.142 175.900 -0.022 0.000 1.177 463 Y CA -0.297 57.775 58.100 -0.047 0.000 1.265 463 Y CB -0.076 38.340 38.460 -0.074 0.000 1.103 463 Y HN 0.135 nan 8.280 nan 0.000 0.522 464 N N 1.140 119.879 118.700 0.066 0.000 2.705 464 N HA -0.216 4.432 4.740 -0.152 0.000 0.255 464 N C -1.155 174.400 175.510 0.075 0.000 1.008 464 N CA 0.361 53.447 53.050 0.059 0.000 0.742 464 N CB -1.211 37.305 38.487 0.048 0.000 0.906 464 N HN 0.380 nan 8.380 nan 0.000 0.541 465 L N 0.521 121.795 121.223 0.084 0.000 2.350 465 L HA 0.409 4.658 4.340 -0.152 0.000 0.275 465 L C -1.391 175.521 176.870 0.069 0.000 1.099 465 L CA -1.763 53.122 54.840 0.076 0.000 0.808 465 L CB 0.971 43.077 42.059 0.079 0.000 1.149 465 L HN 0.108 nan 8.230 nan 0.000 0.442 466 P HA 0.094 nan 4.420 nan 0.000 0.237 466 P C -0.746 176.599 177.300 0.074 0.000 1.788 466 P CA 0.027 63.166 63.100 0.065 0.000 1.061 466 P CB 0.120 31.855 31.700 0.058 0.000 1.967 467 V N 2.376 122.339 119.914 0.082 0.000 2.409 467 V HA 0.292 4.320 4.120 -0.152 0.000 0.291 467 V C 0.502 176.654 176.094 0.096 0.000 1.020 467 V CA -0.159 62.198 62.300 0.094 0.000 0.848 467 V CB 1.939 33.824 31.823 0.103 0.000 0.990 467 V HN 0.192 nan 8.190 nan 0.000 0.430 468 T N 6.593 121.203 114.554 0.092 0.000 2.743 468 T HA 0.599 4.857 4.350 -0.152 0.000 0.292 468 T C -0.147 174.606 174.700 0.089 0.000 0.972 468 T CA -0.030 62.122 62.100 0.086 0.000 0.967 468 T CB 0.467 69.375 68.868 0.067 0.000 0.926 468 T HN 0.392 nan 8.240 nan 0.000 0.459 469 I N 3.576 124.196 120.570 0.084 0.000 2.312 469 I HA 0.315 4.393 4.170 -0.152 0.000 0.290 469 I C -0.235 175.895 176.117 0.023 0.000 1.008 469 I CA -0.774 60.565 61.300 0.065 0.000 1.226 469 I CB 1.222 39.262 38.000 0.066 0.000 1.371 469 I HN 0.264 nan 8.210 nan 0.000 0.468 470 V N 7.973 127.921 119.914 0.056 0.000 2.311 470 V HA 0.376 4.405 4.120 -0.152 0.000 0.275 470 V C 0.207 176.371 176.094 0.117 0.000 1.022 470 V CA -0.381 61.969 62.300 0.083 0.000 0.830 470 V CB 0.878 32.800 31.823 0.165 0.000 1.012 470 V HN 0.492 nan 8.190 nan 0.000 0.452 471 I N 5.021 125.587 120.570 -0.006 0.000 2.315 471 I HA 0.347 4.426 4.170 -0.152 0.000 0.291 471 I C -0.424 175.732 176.117 0.066 0.000 1.006 471 I CA -0.294 60.984 61.300 -0.037 0.000 1.265 471 I CB 1.057 38.848 38.000 -0.349 0.000 1.387 471 I HN 0.388 nan 8.210 nan 0.000 0.475 472 F N 5.330 125.238 119.950 -0.069 0.000 2.509 472 F HA 0.149 4.584 4.527 -0.154 0.000 0.350 472 F C 0.909 176.690 175.800 -0.031 0.000 1.220 472 F CA -0.362 57.608 58.000 -0.051 0.000 1.151 472 F CB -0.281 38.727 39.000 0.014 0.000 1.379 472 F HN 0.412 nan 8.300 nan 0.000 0.610 473 N N 3.610 122.317 118.700 0.012 0.000 2.719 473 N HA -0.019 4.630 4.740 -0.152 0.000 0.243 473 N C 0.554 176.104 175.510 0.067 0.000 1.104 473 N CA -0.061 53.037 53.050 0.081 0.000 0.981 473 N CB -0.049 38.510 38.487 0.120 0.000 1.290 473 N HN 0.447 nan 8.380 nan 0.000 0.513 474 N N 2.185 120.951 118.700 0.109 0.000 2.270 474 N HA 0.087 4.736 4.740 -0.152 0.000 0.198 474 N C 0.881 176.476 175.510 0.141 0.000 1.117 474 N CA 0.388 53.505 53.050 0.111 0.000 0.845 474 N CB -0.143 38.436 38.487 0.153 0.000 0.980 474 N HN 0.438 nan 8.380 nan 0.000 0.486 475 G N -1.536 107.357 108.800 0.154 0.000 2.147 475 G HA2 0.067 3.936 3.960 -0.152 0.000 0.244 475 G HA3 0.067 3.936 3.960 -0.152 0.000 0.244 475 G C 0.278 175.266 174.900 0.147 0.000 1.005 475 G CA 0.298 45.490 45.100 0.154 0.000 0.713 475 G HN 1.016 nan 8.290 nan 0.000 0.515 476 G N -1.475 107.414 108.800 0.148 0.000 2.315 476 G HA2 0.484 4.353 3.960 -0.152 0.000 0.294 476 G HA3 0.484 4.353 3.960 -0.152 0.000 0.294 476 G C -0.781 174.175 174.900 0.093 0.000 1.300 476 G CA -0.473 44.700 45.100 0.122 0.000 0.843 476 G HN 0.803 nan 8.290 nan 0.000 0.527 477 I N 1.825 122.423 120.570 0.046 0.000 2.347 477 I HA 0.286 4.365 4.170 -0.152 0.000 0.294 477 I C 0.880 176.969 176.117 -0.048 0.000 1.090 477 I CA 0.241 61.475 61.300 -0.110 0.000 1.314 477 I CB -0.348 37.567 38.000 -0.142 0.000 1.423 477 I HN 0.722 nan 8.210 nan 0.000 0.503 478 Y N 3.154 123.512 120.300 0.098 0.000 2.749 478 Y HA -0.350 4.108 4.550 -0.153 0.000 0.482 478 Y C 0.844 176.822 175.900 0.129 0.000 1.210 478 Y CA 0.899 59.051 58.100 0.087 0.000 2.729 478 Y CB -1.159 37.335 38.460 0.057 0.000 0.974 478 Y HN 0.540 nan 8.280 nan 0.000 0.548 479 R N -0.808 119.868 120.500 0.294 0.000 2.799 479 R HA 0.660 4.909 4.340 -0.152 0.000 0.270 479 R C 0.636 177.042 176.300 0.175 0.000 1.010 479 R CA -0.189 56.045 56.100 0.223 0.000 0.916 479 R CB 1.650 32.062 30.300 0.187 0.000 1.228 479 R HN 0.202 nan 8.270 nan 0.000 0.469 480 G N 0.046 108.938 108.800 0.153 0.000 3.519 480 G HA2 -0.008 3.861 3.960 -0.152 0.000 0.269 480 G HA3 -0.008 3.861 3.960 -0.152 0.000 0.269 480 G C -0.106 174.859 174.900 0.108 0.000 1.028 480 G CA -0.217 44.962 45.100 0.133 0.000 0.809 480 G HN 0.657 nan 8.290 nan 0.000 0.521 481 D N 0.316 120.775 120.400 0.097 0.000 2.593 481 D HA 0.219 4.767 4.640 -0.152 0.000 0.241 481 D C 1.104 177.437 176.300 0.055 0.000 1.257 481 D CA -0.594 53.447 54.000 0.068 0.000 0.828 481 D CB 0.084 40.924 40.800 0.066 0.000 1.049 481 D HN 0.097 nan 8.370 nan 0.000 0.490 482 G N -0.211 108.626 108.800 0.062 0.000 2.636 482 G HA2 0.443 4.312 3.960 -0.152 0.000 0.246 482 G HA3 0.443 4.312 3.960 -0.152 0.000 0.246 482 G C -0.399 174.520 174.900 0.032 0.000 1.216 482 G CA -0.274 44.857 45.100 0.052 0.000 0.854 482 G HN 0.133 nan 8.290 nan 0.000 0.572 483 V N 1.072 121.001 119.914 0.026 0.000 2.709 483 V HA 0.199 4.227 4.120 -0.152 0.000 0.308 483 V C -0.597 175.506 176.094 0.015 0.000 1.062 483 V CA -0.969 61.340 62.300 0.015 0.000 0.901 483 V CB 1.933 33.762 31.823 0.010 0.000 1.003 483 V HN 0.835 nan 8.190 nan 0.000 0.425 484 D N 3.523 123.929 120.400 0.010 0.000 2.389 484 D HA 0.077 4.626 4.640 -0.152 0.000 0.263 484 D C 0.922 177.227 176.300 0.008 0.000 1.255 484 D CA 0.310 54.316 54.000 0.010 0.000 0.914 484 D CB 0.932 41.735 40.800 0.006 0.000 1.116 484 D HN 0.496 nan 8.370 nan 0.000 0.502 485 L N 3.017 124.246 121.223 0.010 0.000 2.551 485 L HA -0.098 4.151 4.340 -0.152 0.000 0.228 485 L C 2.279 179.152 176.870 0.006 0.000 1.153 485 L CA 0.639 55.484 54.840 0.008 0.000 0.851 485 L CB -0.354 41.711 42.059 0.010 0.000 0.959 485 L HN 0.406 nan 8.230 nan 0.000 0.451 486 S N -0.793 114.910 115.700 0.005 0.000 2.489 486 S HA 0.042 4.421 4.470 -0.152 0.000 0.228 486 S C 1.719 176.320 174.600 0.002 0.000 0.995 486 S CA 0.591 58.793 58.200 0.003 0.000 0.934 486 S CB 0.164 63.366 63.200 0.003 0.000 0.771 486 S HN 0.517 nan 8.310 nan 0.000 0.522 487 G N 0.658 109.459 108.800 0.001 0.000 2.176 487 G HA2 -0.231 3.638 3.960 -0.152 0.000 0.253 487 G HA3 -0.231 3.638 3.960 -0.152 0.000 0.253 487 G C 0.926 175.825 174.900 -0.002 0.000 0.979 487 G CA 0.125 45.225 45.100 -0.001 0.000 0.641 487 G HN 1.304 nan 8.290 nan 0.000 0.530 488 A N 0.125 122.944 122.820 -0.001 0.000 2.168 488 A HA 0.501 4.730 4.320 -0.152 0.000 0.215 488 A C 2.732 180.313 177.584 -0.004 0.000 1.152 488 A CA 2.043 54.078 52.037 -0.002 0.000 0.716 488 A CB -0.601 18.399 19.000 -0.001 0.000 0.794 488 A HN 2.501 nan 8.150 nan 0.000 0.465 489 G N -2.087 106.710 108.800 -0.005 0.000 2.143 489 G HA2 0.069 3.938 3.960 -0.152 0.000 0.249 489 G HA3 0.069 3.938 3.960 -0.152 0.000 0.249 489 G C 0.440 175.335 174.900 -0.007 0.000 0.981 489 G CA 0.478 45.572 45.100 -0.009 0.000 0.665 489 G HN 1.549 nan 8.290 nan 0.000 0.528 490 A N 0.142 122.961 122.820 -0.002 0.000 2.313 490 A HA 0.745 4.974 4.320 -0.152 0.000 0.261 490 A C -1.379 176.207 177.584 0.004 0.000 1.090 490 A CA -0.826 51.211 52.037 0.001 0.000 0.807 490 A CB 0.216 19.218 19.000 0.003 0.000 1.055 490 A HN 0.195 nan 8.150 nan 0.000 0.492 491 P HA 0.124 nan 4.420 nan 0.000 0.266 491 P C 0.163 177.475 177.300 0.020 0.000 1.195 491 P CA 0.101 63.210 63.100 0.015 0.000 0.768 491 P CB 0.596 32.308 31.700 0.020 0.000 0.838 492 S N 3.565 119.281 115.700 0.027 0.000 2.608 492 S HA 0.219 4.598 4.470 -0.152 0.000 0.261 492 S C -1.557 173.066 174.600 0.039 0.000 1.314 492 S CA -0.797 57.422 58.200 0.032 0.000 0.992 492 S CB -0.112 63.111 63.200 0.039 0.000 0.935 492 S HN 0.234 nan 8.310 nan 0.000 0.564 493 P HA -0.017 nan 4.420 nan 0.000 0.223 493 P C 1.077 178.410 177.300 0.056 0.000 1.144 493 P CA 1.294 64.419 63.100 0.043 0.000 0.783 493 P CB -0.214 31.513 31.700 0.045 0.000 0.771 494 T N -6.419 108.179 114.554 0.073 0.000 3.069 494 T HA 0.123 4.382 4.350 -0.152 0.000 0.252 494 T C 0.422 175.171 174.700 0.083 0.000 1.053 494 T CA -0.289 61.864 62.100 0.089 0.000 0.964 494 T CB -0.253 68.702 68.868 0.144 0.000 1.005 494 T HN -0.106 nan 8.240 nan 0.000 0.532 495 D N 1.587 122.030 120.400 0.071 0.000 2.256 495 D HA 0.510 5.059 4.640 -0.152 0.000 0.250 495 D C 0.061 176.405 176.300 0.072 0.000 1.093 495 D CA -0.282 53.763 54.000 0.075 0.000 0.882 495 D CB 1.599 42.435 40.800 0.061 0.000 1.185 495 D HN 0.285 nan 8.370 nan 0.000 0.437 496 L N 0.943 122.222 121.223 0.092 0.000 2.347 496 L HA 0.371 4.620 4.340 -0.152 0.000 0.268 496 L C 0.160 177.085 176.870 0.091 0.000 1.019 496 L CA -1.320 53.577 54.840 0.096 0.000 0.806 496 L CB 0.703 42.847 42.059 0.141 0.000 1.339 496 L HN 0.166 nan 8.230 nan 0.000 0.463 497 L N 0.705 121.973 121.223 0.074 0.000 2.540 497 L HA -0.019 4.229 4.340 -0.152 0.000 0.276 497 L C 0.117 177.033 176.870 0.077 0.000 1.212 497 L CA 0.419 55.293 54.840 0.056 0.000 0.893 497 L CB -0.106 41.959 42.059 0.010 0.000 1.138 497 L HN 0.375 nan 8.230 nan 0.000 0.491 498 H N 5.108 124.166 119.070 -0.020 0.000 3.004 498 H HA 0.106 4.571 4.556 -0.152 0.000 0.316 498 H C 0.045 175.375 175.328 0.004 0.000 1.014 498 H CA 0.581 56.587 56.048 -0.070 0.000 1.454 498 H CB 0.037 29.704 29.762 -0.159 0.000 1.472 498 H HN 0.702 nan 8.280 nan 0.000 0.571 499 H N 0.998 119.779 119.070 -0.480 0.000 2.713 499 H HA -0.192 4.273 4.556 -0.152 0.000 0.311 499 H C 0.191 175.394 175.328 -0.207 0.000 1.175 499 H CA 0.322 56.146 56.048 -0.374 0.000 1.143 499 H CB -1.936 27.558 29.762 -0.445 0.000 1.434 499 H HN 0.770 nan 8.280 nan 0.000 0.418 500 A N 0.897 123.667 122.820 -0.083 0.000 2.483 500 A HA 0.351 4.580 4.320 -0.152 0.000 0.238 500 A C 0.949 178.375 177.584 -0.263 0.000 1.070 500 A CA 0.011 51.898 52.037 -0.249 0.000 0.770 500 A CB 0.477 19.178 19.000 -0.498 0.000 1.008 500 A HN 0.311 nan 8.150 nan 0.000 0.497 501 R N 2.381 122.714 120.500 -0.277 0.000 2.790 501 R HA 0.182 4.431 4.340 -0.152 0.000 0.274 501 R C -0.520 175.683 176.300 -0.162 0.000 1.334 501 R CA -0.097 55.905 56.100 -0.164 0.000 1.543 501 R CB -0.073 30.162 30.300 -0.109 0.000 1.154 501 R HN 0.865 nan 8.270 nan 0.000 0.601 502 Y N 1.007 121.280 120.300 -0.045 0.000 2.333 502 Y HA -0.258 4.201 4.550 -0.151 0.000 0.290 502 Y C 2.140 178.004 175.900 -0.060 0.000 1.144 502 Y CA 1.683 59.750 58.100 -0.055 0.000 1.228 502 Y CB 0.073 38.434 38.460 -0.164 0.000 0.985 502 Y HN 0.464 nan 8.280 nan 0.000 0.542 503 D N 0.584 121.029 120.400 0.074 0.000 2.190 503 D HA -0.223 4.326 4.640 -0.152 0.000 0.200 503 D C 1.351 177.657 176.300 0.009 0.000 0.992 503 D CA 1.331 55.350 54.000 0.032 0.000 0.854 503 D CB -0.397 40.412 40.800 0.016 0.000 0.936 503 D HN 0.339 nan 8.370 nan 0.000 0.462 504 K N 0.156 120.550 120.400 -0.011 0.000 2.283 504 K HA 0.035 4.264 4.320 -0.152 0.000 0.202 504 K C 2.429 179.014 176.600 -0.025 0.000 1.048 504 K CA 0.241 56.507 56.287 -0.034 0.000 0.948 504 K CB -0.060 32.407 32.500 -0.055 0.000 0.742 504 K HN 0.210 nan 8.250 nan 0.000 0.458 505 L N 0.405 121.646 121.223 0.029 0.000 2.127 505 L HA -0.199 4.050 4.340 -0.152 0.000 0.211 505 L C 2.357 179.245 176.870 0.029 0.000 1.089 505 L CA 0.788 55.663 54.840 0.058 0.000 0.757 505 L CB -0.420 41.770 42.059 0.218 0.000 0.899 505 L HN 0.248 nan 8.230 nan 0.000 0.434 506 M N -0.575 119.066 119.600 0.069 0.000 2.358 506 M HA -0.173 4.215 4.480 -0.152 0.000 0.264 506 M C 1.635 177.926 176.300 -0.015 0.000 1.064 506 M CA 1.324 56.679 55.300 0.091 0.000 1.093 506 M CB -1.010 31.641 32.600 0.085 0.000 1.401 506 M HN 0.233 nan 8.290 nan 0.000 0.440 507 D N 0.671 121.024 120.400 -0.079 0.000 2.149 507 D HA -0.102 4.447 4.640 -0.152 0.000 0.198 507 D C 1.941 178.124 176.300 -0.195 0.000 0.990 507 D CA 1.515 55.449 54.000 -0.109 0.000 0.839 507 D CB -0.223 40.516 40.800 -0.101 0.000 0.948 507 D HN 0.338 nan 8.370 nan 0.000 0.460 508 A N 0.032 122.619 122.820 -0.388 0.000 1.978 508 A HA -0.155 4.074 4.320 -0.152 0.000 0.220 508 A C 1.212 178.407 177.584 -0.650 0.000 1.170 508 A CA 1.105 52.731 52.037 -0.685 0.000 0.636 508 A CB -0.494 17.780 19.000 -1.211 0.000 0.810 508 A HN 0.217 nan 8.150 nan 0.000 0.448 509 F N -1.940 118.017 119.950 0.012 0.000 2.735 509 F HA 0.367 4.802 4.527 -0.152 0.000 0.308 509 F C 0.784 176.584 175.800 -0.000 0.000 1.112 509 F CA -0.547 57.456 58.000 0.006 0.000 1.235 509 F CB -0.019 38.989 39.000 0.015 0.000 1.027 509 F HN 0.109 nan 8.300 nan 0.000 0.528 510 R N -0.100 120.450 120.500 0.082 0.000 3.651 510 R HA -0.155 4.094 4.340 -0.152 0.000 0.292 510 R C 0.821 177.158 176.300 0.062 0.000 1.161 510 R CA 0.445 56.575 56.100 0.050 0.000 0.787 510 R CB -2.064 28.262 30.300 0.044 0.000 1.249 510 R HN 0.481 nan 8.270 nan 0.000 0.476 511 G N -0.205 108.647 108.800 0.086 0.000 2.525 511 G HA2 0.554 4.422 3.960 -0.152 0.000 0.287 511 G HA3 0.554 4.422 3.960 -0.152 0.000 0.287 511 G C -0.146 174.770 174.900 0.027 0.000 1.350 511 G CA -0.482 44.665 45.100 0.078 0.000 1.039 511 G HN 0.020 nan 8.290 nan 0.000 0.513 512 V N -0.381 119.546 119.914 0.021 0.000 2.483 512 V HA 0.745 4.774 4.120 -0.152 0.000 0.295 512 V C 0.669 176.729 176.094 -0.057 0.000 1.035 512 V CA -0.172 62.099 62.300 -0.048 0.000 0.896 512 V CB 1.364 33.174 31.823 -0.023 0.000 0.986 512 V HN 1.012 nan 8.190 nan 0.000 0.447 513 G N 2.586 111.284 108.800 -0.171 0.000 2.542 513 G HA2 0.690 4.559 3.960 -0.152 0.000 0.311 513 G HA3 0.690 4.559 3.960 -0.152 0.000 0.311 513 G C -1.963 172.753 174.900 -0.307 0.000 1.298 513 G CA -0.368 44.654 45.100 -0.130 0.000 0.973 513 G HN 0.449 nan 8.290 nan 0.000 0.487 514 Y N 0.356 120.653 120.300 -0.005 0.000 2.425 514 Y HA 0.470 4.930 4.550 -0.150 0.000 0.344 514 Y C 0.044 175.930 175.900 -0.024 0.000 0.969 514 Y CA -0.987 57.108 58.100 -0.008 0.000 1.052 514 Y CB 2.806 41.264 38.460 -0.005 0.000 1.215 514 Y HN 0.574 nan 8.280 nan 0.000 0.451 515 N N 2.016 120.790 118.700 0.124 0.000 2.392 515 N HA 0.617 5.266 4.740 -0.152 0.000 0.283 515 N C -1.786 173.742 175.510 0.031 0.000 1.003 515 N CA -0.594 52.481 53.050 0.041 0.000 0.892 515 N CB 1.426 39.907 38.487 -0.012 0.000 1.193 515 N HN 0.464 nan 8.380 nan 0.000 0.487 516 V N 1.156 121.058 119.914 -0.019 0.000 2.709 516 V HA 0.681 4.710 4.120 -0.152 0.000 0.308 516 V C 0.463 176.504 176.094 -0.088 0.000 1.062 516 V CA -0.345 61.929 62.300 -0.043 0.000 0.901 516 V CB 1.160 32.951 31.823 -0.053 0.000 1.003 516 V HN 0.811 nan 8.190 nan 0.000 0.425 517 T N -0.495 114.012 114.554 -0.078 0.000 3.004 517 T HA 0.317 4.576 4.350 -0.152 0.000 0.266 517 T C 0.644 175.299 174.700 -0.075 0.000 0.986 517 T CA 0.616 62.662 62.100 -0.090 0.000 0.902 517 T CB -0.030 68.789 68.868 -0.082 0.000 1.118 517 T HN 1.309 nan 8.240 nan 0.000 0.522 518 T N -0.835 113.682 114.554 -0.062 0.000 2.916 518 T HA 0.496 4.755 4.350 -0.152 0.000 0.292 518 T C 1.372 176.043 174.700 -0.049 0.000 1.064 518 T CA 0.120 62.191 62.100 -0.048 0.000 1.011 518 T CB 1.674 70.524 68.868 -0.031 0.000 1.152 518 T HN 0.071 nan 8.240 nan 0.000 0.510 519 T N -1.201 113.332 114.554 -0.034 0.000 2.821 519 T HA -0.084 4.174 4.350 -0.152 0.000 0.267 519 T C 1.227 175.917 174.700 -0.016 0.000 1.046 519 T CA 1.267 63.352 62.100 -0.025 0.000 1.139 519 T CB -0.638 68.226 68.868 -0.006 0.000 0.871 519 T HN 0.601 nan 8.240 nan 0.000 0.454 520 D N 1.524 121.918 120.400 -0.011 0.000 2.144 520 D HA -0.050 4.499 4.640 -0.152 0.000 0.199 520 D C 2.239 178.542 176.300 0.004 0.000 0.984 520 D CA 1.069 55.067 54.000 -0.003 0.000 0.834 520 D CB -0.244 40.551 40.800 -0.008 0.000 0.955 520 D HN 0.605 nan 8.370 nan 0.000 0.465 521 E N -0.060 120.135 120.200 -0.008 0.000 2.077 521 E HA -0.152 4.107 4.350 -0.152 0.000 0.193 521 E C 2.017 178.604 176.600 -0.021 0.000 0.989 521 E CA 0.306 56.707 56.400 0.002 0.000 0.800 521 E CB -0.034 29.661 29.700 -0.009 0.000 0.746 521 E HN 0.089 nan 8.360 nan 0.000 0.452 522 L N 1.423 122.617 121.223 -0.048 0.000 2.046 522 L HA -0.156 4.092 4.340 -0.152 0.000 0.208 522 L C 2.059 178.886 176.870 -0.072 0.000 1.077 522 L CA 1.692 56.485 54.840 -0.078 0.000 0.747 522 L CB -0.282 41.726 42.059 -0.085 0.000 0.896 522 L HN -0.064 nan 8.230 nan 0.000 0.432 523 R N -1.432 119.048 120.500 -0.032 0.000 2.083 523 R HA -0.246 4.003 4.340 -0.152 0.000 0.237 523 R C 2.359 178.634 176.300 -0.042 0.000 1.137 523 R CA 1.754 57.841 56.100 -0.021 0.000 0.951 523 R CB -0.785 29.519 30.300 0.008 0.000 0.851 523 R HN 0.564 nan 8.270 nan 0.000 0.434 524 H N 0.479 119.482 119.070 -0.112 0.000 2.321 524 H HA -0.001 4.464 4.556 -0.152 0.000 0.300 524 H C 1.846 177.021 175.328 -0.255 0.000 1.087 524 H CA 1.845 57.811 56.048 -0.136 0.000 1.319 524 H CB -0.146 29.550 29.762 -0.109 0.000 1.379 524 H HN 0.240 nan 8.280 nan 0.000 0.501 525 A N 0.531 123.063 122.820 -0.479 0.000 1.902 525 A HA -0.098 4.131 4.320 -0.152 0.000 0.217 525 A C 2.396 179.632 177.584 -0.580 0.000 1.181 525 A CA 1.587 53.077 52.037 -0.912 0.000 0.623 525 A CB -0.929 17.613 19.000 -0.763 0.000 0.818 525 A HN 0.475 nan 8.150 nan 0.000 0.443 526 L N -0.319 120.723 121.223 -0.302 0.000 2.056 526 L HA -0.076 4.173 4.340 -0.152 0.000 0.207 526 L C 2.459 179.241 176.870 -0.147 0.000 1.078 526 L CA 2.712 57.456 54.840 -0.161 0.000 0.749 526 L CB -1.063 40.951 42.059 -0.075 0.000 0.901 526 L HN 0.368 nan 8.230 nan 0.000 0.433 527 T N -1.007 113.443 114.554 -0.173 0.000 2.708 527 T HA -0.178 4.081 4.350 -0.152 0.000 0.266 527 T C 1.711 176.316 174.700 -0.157 0.000 1.037 527 T CA 2.049 64.070 62.100 -0.132 0.000 1.146 527 T CB -0.496 68.307 68.868 -0.110 0.000 0.865 527 T HN 0.433 nan 8.240 nan 0.000 0.435 528 T N 1.111 115.490 114.554 -0.292 0.000 2.746 528 T HA -0.038 4.221 4.350 -0.152 0.000 0.267 528 T C 2.239 176.886 174.700 -0.087 0.000 1.039 528 T CA 1.279 63.244 62.100 -0.225 0.000 1.142 528 T CB -0.895 67.745 68.868 -0.379 0.000 0.866 528 T HN 0.514 nan 8.240 nan 0.000 0.444 529 G N 1.462 110.205 108.800 -0.096 0.000 2.459 529 G HA2 -0.170 3.698 3.960 -0.152 0.000 0.217 529 G HA3 -0.170 3.698 3.960 -0.152 0.000 0.217 529 G C 1.524 176.435 174.900 0.018 0.000 1.183 529 G CA 0.735 45.843 45.100 0.013 0.000 0.776 529 G HN 0.494 nan 8.290 nan 0.000 0.552 530 I N 0.275 120.843 120.570 -0.003 0.000 2.142 530 I HA -0.223 3.855 4.170 -0.152 0.000 0.240 530 I C 3.058 179.184 176.117 0.016 0.000 1.078 530 I CA 1.366 62.676 61.300 0.016 0.000 1.343 530 I CB -0.357 37.651 38.000 0.013 0.000 1.046 530 I HN 0.216 nan 8.210 nan 0.000 0.405 531 Q N 0.365 120.164 119.800 -0.001 0.000 2.124 531 Q HA -0.191 4.058 4.340 -0.152 0.000 0.202 531 Q C 2.388 178.399 176.000 0.019 0.000 0.977 531 Q CA 2.022 57.829 55.803 0.006 0.000 0.850 531 Q CB -0.218 28.516 28.738 -0.006 0.000 0.901 531 Q HN 0.633 nan 8.270 nan 0.000 0.429 532 S N -0.147 115.567 115.700 0.024 0.000 2.453 532 S HA -0.075 4.304 4.470 -0.152 0.000 0.231 532 S C 0.801 175.425 174.600 0.041 0.000 1.005 532 S CA 0.277 58.500 58.200 0.037 0.000 0.949 532 S CB 0.120 63.352 63.200 0.054 0.000 0.774 532 S HN 0.242 nan 8.310 nan 0.000 0.510 533 R N 0.307 120.833 120.500 0.043 0.000 4.000 533 R HA -0.108 4.141 4.340 -0.152 0.000 0.362 533 R C -0.804 175.528 176.300 0.054 0.000 1.183 533 R CA 1.203 57.332 56.100 0.048 0.000 1.011 533 R CB -2.523 27.802 30.300 0.042 0.000 1.501 533 R HN 0.640 nan 8.270 nan 0.000 0.553 534 K N 1.340 121.775 120.400 0.059 0.000 2.118 534 K HA 0.339 4.568 4.320 -0.152 0.000 0.267 534 K C -2.325 174.320 176.600 0.075 0.000 0.991 534 K CA -1.924 54.400 56.287 0.063 0.000 0.916 534 K CB 0.761 33.298 32.500 0.062 0.000 1.041 534 K HN -0.237 nan 8.250 nan 0.000 0.455 535 P HA -0.025 nan 4.420 nan 0.000 0.260 535 P C -1.090 176.268 177.300 0.097 0.000 1.185 535 P CA 0.455 63.609 63.100 0.089 0.000 0.763 535 P CB 0.480 32.233 31.700 0.088 0.000 0.776 536 T N 4.341 118.959 114.554 0.107 0.000 2.916 536 T HA 0.540 4.799 4.350 -0.152 0.000 0.298 536 T C -0.221 174.546 174.700 0.112 0.000 1.031 536 T CA -0.372 61.801 62.100 0.121 0.000 0.993 536 T CB 0.918 69.879 68.868 0.156 0.000 1.045 536 T HN 0.136 nan 8.240 nan 0.000 0.454 537 I N 3.060 123.691 120.570 0.101 0.000 2.404 537 I HA 0.500 4.579 4.170 -0.152 0.000 0.293 537 I C -0.639 175.532 176.117 0.091 0.000 0.992 537 I CA -0.910 60.425 61.300 0.059 0.000 1.149 537 I CB 1.576 39.588 38.000 0.019 0.000 1.315 537 I HN 0.478 nan 8.210 nan 0.000 0.446 538 I N 6.215 126.820 120.570 0.057 0.000 2.355 538 I HA 0.221 4.300 4.170 -0.152 0.000 0.288 538 I C 0.053 176.167 176.117 -0.005 0.000 0.999 538 I CA -0.419 60.921 61.300 0.066 0.000 1.163 538 I CB 1.137 39.156 38.000 0.032 0.000 1.316 538 I HN 0.557 nan 8.210 nan 0.000 0.454 539 N N 6.986 125.691 118.700 0.009 0.000 2.406 539 N HA 0.208 4.857 4.740 -0.152 0.000 0.251 539 N C -1.128 174.340 175.510 -0.071 0.000 1.069 539 N CA -0.252 52.791 53.050 -0.011 0.000 0.947 539 N CB 1.207 39.715 38.487 0.033 0.000 1.111 539 N HN 0.267 nan 8.380 nan 0.000 0.497 540 V N 4.275 124.099 119.914 -0.149 0.000 2.350 540 V HA 0.180 4.209 4.120 -0.152 0.000 0.276 540 V C 0.449 176.401 176.094 -0.238 0.000 1.028 540 V CA -0.862 61.279 62.300 -0.264 0.000 0.860 540 V CB 1.397 32.892 31.823 -0.546 0.000 0.990 540 V HN 0.334 nan 8.190 nan 0.000 0.453 541 V N 6.815 126.614 119.914 -0.192 0.000 2.415 541 V HA 0.232 4.261 4.120 -0.152 0.000 0.267 541 V C 0.228 176.217 176.094 -0.174 0.000 1.042 541 V CA 0.093 62.300 62.300 -0.154 0.000 1.000 541 V CB 0.395 32.123 31.823 -0.157 0.000 1.015 541 V HN 0.536 nan 8.190 nan 0.000 0.478 542 I N 3.512 123.987 120.570 -0.158 0.000 2.460 542 I HA 0.317 4.396 4.170 -0.152 0.000 0.298 542 I C 0.370 176.446 176.117 -0.069 0.000 0.989 542 I CA -0.647 60.539 61.300 -0.190 0.000 1.173 542 I CB 1.657 39.474 38.000 -0.305 0.000 1.338 542 I HN 0.543 nan 8.210 nan 0.000 0.456 543 D N 8.577 128.948 120.400 -0.048 0.000 2.520 543 D HA -0.008 4.541 4.640 -0.152 0.000 0.243 543 D C -1.430 174.911 176.300 0.070 0.000 1.160 543 D CA -1.031 52.987 54.000 0.031 0.000 0.877 543 D CB 1.316 42.144 40.800 0.045 0.000 1.150 543 D HN 0.270 nan 8.370 nan 0.000 0.494 544 P HA -0.096 nan 4.420 nan 0.000 0.225 544 P C 0.528 177.909 177.300 0.136 0.000 1.148 544 P CA 0.692 63.866 63.100 0.125 0.000 0.779 544 P CB 0.265 32.041 31.700 0.126 0.000 0.780 545 A N -0.629 122.265 122.820 0.123 0.000 2.308 545 A HA 0.477 4.706 4.320 -0.152 0.000 0.217 545 A C 2.194 179.872 177.584 0.156 0.000 1.216 545 A CA 0.624 52.736 52.037 0.124 0.000 0.864 545 A CB -0.622 18.434 19.000 0.093 0.000 0.902 545 A HN 0.163 nan 8.150 nan 0.000 0.499 546 A N 0.270 123.206 122.820 0.195 0.000 1.929 546 A HA 0.351 4.580 4.320 -0.152 0.000 0.216 546 A C 1.603 179.398 177.584 0.351 0.000 1.176 546 A CA 1.103 53.302 52.037 0.269 0.000 0.628 546 A CB -0.887 18.274 19.000 0.268 0.000 0.816 546 A HN 0.674 nan 8.150 nan 0.000 0.444 547 G N -1.268 107.764 108.800 0.388 0.000 2.572 547 G HA2 0.454 4.323 3.960 -0.152 0.000 0.261 547 G HA3 0.454 4.323 3.960 -0.152 0.000 0.261 547 G C -0.380 174.613 174.900 0.155 0.000 1.197 547 G CA 0.077 45.348 45.100 0.285 0.000 0.870 547 G HN 0.144 nan 8.290 nan 0.000 0.548 548 T N 0.234 114.833 114.554 0.076 0.000 2.859 548 T HA 0.321 4.580 4.350 -0.152 0.000 0.281 548 T C -0.079 174.586 174.700 -0.058 0.000 1.005 548 T CA -0.348 61.762 62.100 0.016 0.000 1.025 548 T CB 1.681 70.546 68.868 -0.006 0.000 0.977 548 T HN 0.577 nan 8.240 nan 0.000 0.458 549 E N 2.295 122.385 120.200 -0.183 0.000 2.152 549 E HA 0.280 4.539 4.350 -0.152 0.000 0.285 549 E C -0.358 175.874 176.600 -0.613 0.000 1.043 549 E CA -0.452 55.587 56.400 -0.602 0.000 0.839 549 E CB 0.515 29.980 29.700 -0.392 0.000 1.069 549 E HN 0.492 nan 8.360 nan 0.000 0.399 550 S N 2.324 117.485 115.700 -0.898 0.000 2.579 550 S HA 0.560 4.939 4.470 -0.152 0.000 0.275 550 S C 0.211 174.642 174.600 -0.282 0.000 1.345 550 S CA 0.311 58.283 58.200 -0.380 0.000 1.031 550 S CB 1.160 64.279 63.200 -0.136 0.000 0.892 550 S HN 0.900 nan 8.310 nan 0.000 0.529 551 G N 0.975 109.709 108.800 -0.110 0.000 2.381 551 G HA2 -0.036 3.833 3.960 -0.152 0.000 0.672 551 G HA3 -0.036 3.833 3.960 -0.152 0.000 0.672 551 G C -0.967 173.936 174.900 0.005 0.000 1.324 551 G CA -0.972 44.106 45.100 -0.036 0.000 0.975 551 G HN 0.861 nan 8.290 nan 0.000 0.593 552 H N 0.090 119.138 119.070 -0.037 0.000 2.803 552 H HA 0.431 4.895 4.556 -0.152 0.000 0.330 552 H C 0.215 175.528 175.328 -0.026 0.000 1.057 552 H CA 0.163 56.198 56.048 -0.021 0.000 1.458 552 H CB 0.489 30.244 29.762 -0.012 0.000 1.470 552 H HN 0.411 nan 8.280 nan 0.000 0.560 553 I N 5.290 125.506 120.570 -0.590 0.000 2.301 553 I HA -0.034 4.045 4.170 -0.152 0.000 0.292 553 I C 1.327 177.099 176.117 -0.575 0.000 1.046 553 I CA -0.183 60.867 61.300 -0.417 0.000 1.282 553 I CB 1.234 39.086 38.000 -0.248 0.000 1.409 553 I HN 0.560 nan 8.210 nan 0.000 0.484 554 T N 0.000 114.401 114.554 -0.255 0.000 3.816 554 T HA 0.000 4.259 4.350 -0.152 0.000 0.228 554 T CA 0.000 62.059 62.100 -0.069 0.000 1.349 554 T CB 0.000 68.882 68.868 0.023 0.000 0.612 554 T HN 0.000 nan 8.240 nan 0.000 0.658