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 1m35_1_D DATA FIRST_RESID 1 DATA SEQUENCE SEISRQEFQR RRQALVEQMQ PGSAALIFAA PEVTRSADSE YPYRQNSDFW DATA SEQUENCE YFTGFNEPEA VLVLIKSDDT HNHSVLFNRV RDLTAEIWFG RRLGQDAAPE DATA SEQUENCE KLGVDRALAF SEINQQLYQL LNGLDVVYHA QGEYAYADVI VNSALEKLRK DATA SEQUENCE GSRQNLTAPA TMIDWRPVVH EMRLFKSPEE IAVLRRAGEI TAMAHTRAME DATA SEQUENCE KCRPGMFEYH LEGEIHHEFN RHGARYPSYN TIVGSGENGC ILHYTENECE DATA SEQUENCE MRDGDLVLID AGCEYKGYAG DITRTFPVNG KFTQAQREIY DIVLESLETS DATA SEQUENCE LRLYRPGTSI LEVTGEVVRI MVSGLVKLGI LKGDVDELIA QNAHRPFFMH DATA SEQUENCE GLSHWLGLDV HDVGVYGQDR SRILEPGMVL TVEPGLYIAP DAEVPEQYRG DATA SEQUENCE IGIRIEDDIV ITETGNENLT ASVVKKPEEI EALMVAARKQ 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.676 174.600 0.127 0.000 1.055 1 S CA 0.000 58.279 58.200 0.131 0.000 1.107 1 S CB 0.000 63.270 63.200 0.116 0.000 0.593 2 E N 0.999 121.230 120.200 0.052 0.000 2.447 2 E HA 0.594 4.943 4.350 -0.001 0.000 0.279 2 E C -1.484 175.103 176.600 -0.022 0.000 1.053 2 E CA -1.117 55.300 56.400 0.027 0.000 0.840 2 E CB 0.615 30.341 29.700 0.044 0.000 1.409 2 E HN 0.321 nan 8.360 nan 0.000 0.461 3 I N 2.604 123.151 120.570 -0.039 0.000 2.325 3 I HA 0.170 4.340 4.170 -0.001 0.000 0.291 3 I C 0.684 176.670 176.117 -0.219 0.000 1.019 3 I CA -0.377 60.790 61.300 -0.222 0.000 1.302 3 I CB 0.508 38.245 38.000 -0.437 0.000 1.401 3 I HN 0.693 nan 8.210 nan 0.000 0.485 4 S N 6.769 122.336 115.700 -0.221 0.000 2.600 4 S HA 0.318 4.787 4.470 -0.001 0.000 0.265 4 S C 1.202 175.737 174.600 -0.109 0.000 1.325 4 S CA -0.510 57.618 58.200 -0.121 0.000 1.002 4 S CB 1.320 64.461 63.200 -0.097 0.000 0.921 4 S HN 0.579 nan 8.310 nan 0.000 0.554 5 R N 0.445 120.955 120.500 0.017 0.000 2.096 5 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 5 R C 2.309 178.623 176.300 0.024 0.000 1.127 5 R CA 1.609 57.763 56.100 0.091 0.000 0.968 5 R CB -0.470 29.858 30.300 0.048 0.000 0.861 5 R HN 0.663 nan 8.270 nan 0.000 0.440 6 Q N 0.438 120.217 119.800 -0.036 0.000 2.124 6 Q HA -0.190 4.150 4.340 -0.001 0.000 0.202 6 Q C 1.816 177.761 176.000 -0.092 0.000 0.977 6 Q CA 1.577 57.348 55.803 -0.053 0.000 0.850 6 Q CB -0.103 28.601 28.738 -0.057 0.000 0.901 6 Q HN 0.398 nan 8.270 nan 0.000 0.429 7 E N -0.576 119.517 120.200 -0.178 0.000 2.072 7 E HA -0.141 4.208 4.350 -0.001 0.000 0.191 7 E C 1.213 177.635 176.600 -0.297 0.000 0.985 7 E CA 0.758 56.994 56.400 -0.274 0.000 0.801 7 E CB -0.080 29.381 29.700 -0.399 0.000 0.750 7 E HN 0.285 nan 8.360 nan 0.000 0.452 8 F N 0.876 120.722 119.950 -0.174 0.000 2.171 8 F HA -0.131 4.395 4.527 -0.001 0.000 0.300 8 F C 2.539 178.254 175.800 -0.141 0.000 1.090 8 F CA 1.269 59.143 58.000 -0.210 0.000 1.293 8 F CB -0.682 38.189 39.000 -0.215 0.000 1.013 8 F HN 0.131 nan 8.300 nan 0.000 0.486 9 Q N 0.406 120.241 119.800 0.059 0.000 2.124 9 Q HA -0.165 4.175 4.340 -0.001 0.000 0.202 9 Q C 2.325 178.316 176.000 -0.015 0.000 0.977 9 Q CA 1.520 57.327 55.803 0.007 0.000 0.850 9 Q CB -0.246 28.484 28.738 -0.013 0.000 0.901 9 Q HN 0.283 nan 8.270 nan 0.000 0.429 10 R N -0.668 119.807 120.500 -0.041 0.000 2.075 10 R HA -0.036 4.303 4.340 -0.001 0.000 0.232 10 R C 2.183 178.470 176.300 -0.022 0.000 1.126 10 R CA 1.372 57.444 56.100 -0.045 0.000 0.963 10 R CB 0.037 30.294 30.300 -0.072 0.000 0.858 10 R HN 0.166 nan 8.270 nan 0.000 0.435 11 R N -0.350 120.127 120.500 -0.038 0.000 2.075 11 R HA -0.074 4.266 4.340 -0.001 0.000 0.232 11 R C 2.413 178.862 176.300 0.248 0.000 1.126 11 R CA 1.653 57.767 56.100 0.023 0.000 0.963 11 R CB -0.219 29.907 30.300 -0.291 0.000 0.858 11 R HN 0.195 nan 8.270 nan 0.000 0.435 12 R N 0.363 120.980 120.500 0.195 0.000 2.083 12 R HA -0.130 4.210 4.340 -0.001 0.000 0.237 12 R C 2.355 178.626 176.300 -0.048 0.000 1.137 12 R CA 1.231 57.344 56.100 0.020 0.000 0.951 12 R CB -0.176 30.085 30.300 -0.064 0.000 0.851 12 R HN 0.206 nan 8.270 nan 0.000 0.434 13 Q N 0.025 119.811 119.800 -0.024 0.000 2.170 13 Q HA -0.059 4.280 4.340 -0.001 0.000 0.203 13 Q C 2.057 178.044 176.000 -0.022 0.000 0.976 13 Q CA 1.575 57.355 55.803 -0.038 0.000 0.858 13 Q CB -0.186 28.533 28.738 -0.033 0.000 0.907 13 Q HN 0.364 nan 8.270 nan 0.000 0.433 14 A N 0.438 123.269 122.820 0.017 0.000 1.969 14 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 14 A C 2.057 179.659 177.584 0.029 0.000 1.169 14 A CA 0.978 53.034 52.037 0.031 0.000 0.635 14 A CB -0.367 18.672 19.000 0.066 0.000 0.810 14 A HN 0.321 nan 8.150 nan 0.000 0.445 15 L N -0.303 120.937 121.223 0.028 0.000 2.068 15 L HA -0.012 4.327 4.340 -0.001 0.000 0.204 15 L C 2.314 179.093 176.870 -0.152 0.000 1.076 15 L CA 1.720 56.527 54.840 -0.056 0.000 0.753 15 L CB -0.654 41.299 42.059 -0.176 0.000 0.910 15 L HN 0.109 nan 8.230 nan 0.000 0.439 16 V N 0.217 120.038 119.914 -0.156 0.000 2.332 16 V HA -0.299 3.820 4.120 -0.001 0.000 0.248 16 V C 2.687 178.725 176.094 -0.093 0.000 1.055 16 V CA 1.860 64.073 62.300 -0.146 0.000 1.038 16 V CB -0.752 31.002 31.823 -0.115 0.000 0.651 16 V HN 0.582 nan 8.190 nan 0.000 0.450 17 E N 0.560 120.723 120.200 -0.061 0.000 2.130 17 E HA -0.264 4.086 4.350 -0.001 0.000 0.196 17 E C 2.114 178.696 176.600 -0.030 0.000 0.998 17 E CA 1.708 58.088 56.400 -0.034 0.000 0.806 17 E CB -0.254 29.433 29.700 -0.022 0.000 0.738 17 E HN 0.716 nan 8.360 nan 0.000 0.459 18 Q N -0.884 118.887 119.800 -0.048 0.000 2.392 18 Q HA 0.162 4.501 4.340 -0.001 0.000 0.203 18 Q C 0.125 176.095 176.000 -0.050 0.000 0.917 18 Q CA -0.095 55.688 55.803 -0.034 0.000 0.939 18 Q CB 0.258 28.982 28.738 -0.024 0.000 1.063 18 Q HN 0.316 nan 8.270 nan 0.000 0.516 19 M N 1.183 120.711 119.600 -0.120 0.000 2.250 19 M HA 0.089 4.568 4.480 -0.001 0.000 0.344 19 M C 0.050 176.399 176.300 0.081 0.000 1.150 19 M CA 0.139 55.367 55.300 -0.119 0.000 1.147 19 M CB 0.912 33.352 32.600 -0.267 0.000 1.498 19 M HN 0.012 nan 8.290 nan 0.000 0.461 20 Q N 3.268 123.208 119.800 0.233 0.000 2.394 20 Q HA 0.273 4.612 4.340 -0.001 0.000 0.248 20 Q C -2.142 173.934 176.000 0.127 0.000 0.992 20 Q CA -1.684 54.215 55.803 0.160 0.000 0.888 20 Q CB 0.083 28.916 28.738 0.158 0.000 1.257 20 Q HN 0.340 nan 8.270 nan 0.000 0.462 21 P HA -0.039 nan 4.420 nan 0.000 0.272 21 P C -0.007 177.336 177.300 0.073 0.000 1.223 21 P CA 0.371 63.512 63.100 0.069 0.000 0.784 21 P CB 0.404 32.134 31.700 0.050 0.000 0.923 22 G N 0.550 109.391 108.800 0.067 0.000 2.324 22 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.292 22 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.292 22 G C -0.005 174.943 174.900 0.079 0.000 1.079 22 G CA 0.285 45.422 45.100 0.062 0.000 1.026 22 G HN 0.939 nan 8.290 nan 0.000 0.506 23 S N -1.642 114.121 115.700 0.106 0.000 2.638 23 S HA 1.014 5.484 4.470 -0.001 0.000 0.274 23 S C -0.387 174.299 174.600 0.144 0.000 1.157 23 S CA 0.086 58.377 58.200 0.152 0.000 0.826 23 S CB 2.320 65.696 63.200 0.294 0.000 1.139 23 S HN 2.104 nan 8.310 nan 0.000 0.474 24 A N 0.087 123.022 122.820 0.191 0.000 2.486 24 A HA 0.924 5.244 4.320 -0.001 0.000 0.300 24 A C -0.550 177.182 177.584 0.248 0.000 1.048 24 A CA -0.454 51.664 52.037 0.135 0.000 0.696 24 A CB 1.318 20.365 19.000 0.078 0.000 1.278 24 A HN 1.916 nan 8.150 nan 0.000 0.405 25 A N 1.928 124.826 122.820 0.130 0.000 2.318 25 A HA 0.751 5.070 4.320 -0.001 0.000 0.324 25 A C -0.816 176.826 177.584 0.096 0.000 1.170 25 A CA -0.404 51.728 52.037 0.157 0.000 0.810 25 A CB 0.445 19.358 19.000 -0.145 0.000 1.198 25 A HN 0.871 nan 8.150 nan 0.000 0.484 26 L N 3.245 124.651 121.223 0.306 0.000 2.305 26 L HA 0.566 4.905 4.340 -0.001 0.000 0.284 26 L C -0.930 176.231 176.870 0.486 0.000 1.013 26 L CA -0.211 54.804 54.840 0.292 0.000 0.819 26 L CB 1.351 43.652 42.059 0.404 0.000 1.227 26 L HN 0.569 nan 8.230 nan 0.000 0.417 27 I N 3.099 123.806 120.570 0.228 0.000 2.411 27 I HA 0.366 4.535 4.170 -0.001 0.000 0.284 27 I C -0.698 175.753 176.117 0.557 0.000 1.012 27 I CA -0.283 61.288 61.300 0.452 0.000 1.119 27 I CB 1.346 39.392 38.000 0.077 0.000 1.261 27 I HN 0.322 nan 8.210 nan 0.000 0.448 28 F N 4.085 124.420 119.950 0.643 0.000 2.379 28 F HA 0.652 5.178 4.527 -0.001 0.000 0.332 28 F C 0.935 176.930 175.800 0.326 0.000 1.096 28 F CA -0.434 57.859 58.000 0.487 0.000 1.105 28 F CB 1.163 40.395 39.000 0.387 0.000 1.189 28 F HN 0.417 nan 8.300 nan 0.000 0.515 29 A N 1.475 124.288 122.820 -0.011 0.000 2.313 29 A HA 0.713 5.032 4.320 -0.001 0.000 0.261 29 A C -0.082 177.492 177.584 -0.016 0.000 1.090 29 A CA -0.259 51.523 52.037 -0.425 0.000 0.807 29 A CB -0.008 18.537 19.000 -0.758 0.000 1.055 29 A HN 0.942 nan 8.150 nan 0.000 0.492 30 A N 1.445 124.249 122.820 -0.025 0.000 2.386 30 A HA 0.611 4.930 4.320 -0.001 0.000 0.248 30 A C -2.443 175.019 177.584 -0.204 0.000 1.082 30 A CA -1.194 50.702 52.037 -0.234 0.000 0.789 30 A CB -0.504 18.443 19.000 -0.088 0.000 1.025 30 A HN 0.597 nan 8.150 nan 0.000 0.490 31 P HA 0.283 nan 4.420 nan 0.000 0.276 31 P C -0.444 176.817 177.300 -0.065 0.000 1.244 31 P CA -0.477 62.416 63.100 -0.346 0.000 0.801 31 P CB 0.565 32.033 31.700 -0.387 0.000 1.006 32 E N -0.092 120.054 120.200 -0.090 0.000 2.390 32 E HA 0.261 4.610 4.350 -0.001 0.000 0.261 32 E C -0.626 175.982 176.600 0.012 0.000 1.076 32 E CA -0.309 56.104 56.400 0.023 0.000 0.905 32 E CB 0.511 30.152 29.700 -0.098 0.000 0.984 32 E HN 0.131 nan 8.360 nan 0.000 0.427 33 V N 2.331 122.292 119.914 0.077 0.000 2.540 33 V HA 0.153 4.273 4.120 -0.001 0.000 0.302 33 V C 0.022 176.198 176.094 0.136 0.000 1.035 33 V CA -0.837 61.523 62.300 0.100 0.000 0.873 33 V CB 2.044 33.942 31.823 0.127 0.000 0.992 33 V HN 0.687 nan 8.190 nan 0.000 0.428 34 T N 4.426 119.031 114.554 0.084 0.000 2.901 34 T HA 0.163 4.512 4.350 -0.001 0.000 0.301 34 T C 0.984 175.671 174.700 -0.021 0.000 1.012 34 T CA 0.175 62.286 62.100 0.018 0.000 1.135 34 T CB 0.993 69.863 68.868 0.004 0.000 0.936 34 T HN 0.763 nan 8.240 nan 0.000 0.539 35 R N 1.880 122.213 120.500 -0.279 0.000 2.087 35 R HA 0.261 4.600 4.340 -0.001 0.000 0.213 35 R C 0.397 176.537 176.300 -0.267 0.000 1.137 35 R CA 0.272 55.981 56.100 -0.651 0.000 1.022 35 R CB 0.393 30.079 30.300 -1.024 0.000 0.920 35 R HN 0.539 nan 8.270 nan 0.000 0.451 36 S N -1.257 114.333 115.700 -0.184 0.000 2.563 36 S HA 0.535 5.005 4.470 -0.001 0.000 0.279 36 S C -0.540 174.019 174.600 -0.068 0.000 1.155 36 S CA -0.233 57.907 58.200 -0.099 0.000 0.928 36 S CB 1.315 64.457 63.200 -0.095 0.000 1.107 36 S HN 0.683 nan 8.310 nan 0.000 0.462 37 A N 3.613 126.408 122.820 -0.041 0.000 5.251 37 A HA -0.261 4.058 4.320 -0.001 0.000 0.334 37 A C 0.973 178.541 177.584 -0.026 0.000 1.764 37 A CA 2.012 54.032 52.037 -0.027 0.000 0.708 37 A CB -2.001 16.985 19.000 -0.022 0.000 1.420 37 A HN 1.268 nan 8.150 nan 0.000 0.394 38 D N 0.498 120.888 120.400 -0.017 0.000 2.328 38 D HA 0.235 4.875 4.640 -0.001 0.000 0.221 38 D C 0.620 176.915 176.300 -0.008 0.000 1.072 38 D CA 0.955 54.952 54.000 -0.005 0.000 0.850 38 D CB -0.556 40.254 40.800 0.017 0.000 0.922 38 D HN 1.062 nan 8.370 nan 0.000 0.516 39 S N -0.376 115.301 115.700 -0.038 0.000 2.525 39 S HA 0.557 5.027 4.470 -0.001 0.000 0.290 39 S C -0.331 174.212 174.600 -0.095 0.000 1.152 39 S CA -0.746 57.421 58.200 -0.054 0.000 1.072 39 S CB 2.329 65.485 63.200 -0.074 0.000 1.027 39 S HN -0.056 nan 8.310 nan 0.000 0.500 40 E N 0.709 120.866 120.200 -0.071 0.000 2.235 40 E HA 0.496 4.846 4.350 -0.001 0.000 0.265 40 E C -1.216 175.338 176.600 -0.078 0.000 0.940 40 E CA -0.665 55.696 56.400 -0.065 0.000 0.819 40 E CB 0.646 30.350 29.700 0.006 0.000 1.206 40 E HN 0.648 nan 8.360 nan 0.000 0.409 41 Y N 0.939 121.226 120.300 -0.022 0.000 2.357 41 Y HA 0.220 4.769 4.550 -0.001 0.000 0.340 41 Y C -1.664 174.198 175.900 -0.064 0.000 1.260 41 Y CA -1.684 56.385 58.100 -0.052 0.000 1.425 41 Y CB 0.016 38.430 38.460 -0.076 0.000 1.326 41 Y HN 0.363 nan 8.280 nan 0.000 0.580 42 P HA -0.069 nan 4.420 nan 0.000 0.268 42 P C -1.111 176.139 177.300 -0.083 0.000 1.204 42 P CA 0.025 63.086 63.100 -0.065 0.000 0.768 42 P CB 0.084 31.570 31.700 -0.358 0.000 0.842 43 Y N 3.803 124.029 120.300 -0.123 0.000 2.610 43 Y HA 0.153 4.703 4.550 -0.001 0.000 0.332 43 Y C 0.677 176.472 175.900 -0.174 0.000 1.201 43 Y CA 0.197 58.222 58.100 -0.125 0.000 1.465 43 Y CB 0.365 38.767 38.460 -0.097 0.000 1.283 43 Y HN 0.204 nan 8.280 nan 0.000 0.563 44 R N 4.957 124.952 120.500 -0.842 0.000 2.435 44 R HA 0.286 4.625 4.340 -0.001 0.000 0.308 44 R C -1.353 174.390 176.300 -0.930 0.000 0.975 44 R CA -0.872 54.807 56.100 -0.701 0.000 0.867 44 R CB 0.705 30.734 30.300 -0.452 0.000 1.171 44 R HN 0.712 nan 8.270 nan 0.000 0.470 45 Q N 2.467 121.858 119.800 -0.683 0.000 2.421 45 Q HA 0.100 4.439 4.340 -0.001 0.000 0.255 45 Q C -0.392 175.580 176.000 -0.047 0.000 1.013 45 Q CA 0.339 55.973 55.803 -0.281 0.000 0.895 45 Q CB 0.624 29.505 28.738 0.238 0.000 1.271 45 Q HN 0.671 nan 8.270 nan 0.000 0.460 46 N N 1.881 120.685 118.700 0.174 0.000 2.454 46 N HA -0.050 4.689 4.740 -0.001 0.000 0.260 46 N C -0.062 175.675 175.510 0.379 0.000 1.218 46 N CA 0.446 53.689 53.050 0.322 0.000 0.904 46 N CB 0.722 39.532 38.487 0.538 0.000 1.065 46 N HN 0.640 nan 8.380 nan 0.000 0.462 47 S N 3.062 118.913 115.700 0.252 0.000 2.365 47 S HA -0.152 4.317 4.470 -0.001 0.000 0.225 47 S C 0.988 175.804 174.600 0.361 0.000 1.039 47 S CA 1.117 59.456 58.200 0.231 0.000 1.033 47 S CB -0.067 63.179 63.200 0.078 0.000 0.887 47 S HN 0.668 nan 8.310 nan 0.000 0.447 48 D N 0.287 120.937 120.400 0.416 0.000 2.117 48 D HA -0.046 4.593 4.640 -0.001 0.000 0.198 48 D C 1.632 178.252 176.300 0.535 0.000 0.982 48 D CA 0.746 55.027 54.000 0.468 0.000 0.828 48 D CB -0.314 40.896 40.800 0.684 0.000 0.967 48 D HN 0.394 nan 8.370 nan 0.000 0.464 49 F N 0.772 121.002 119.950 0.466 0.000 2.171 49 F HA -0.155 4.371 4.527 -0.001 0.000 0.300 49 F C 2.276 178.305 175.800 0.380 0.000 1.090 49 F CA 1.208 59.466 58.000 0.430 0.000 1.293 49 F CB -0.101 39.157 39.000 0.430 0.000 1.013 49 F HN 0.039 nan 8.300 nan 0.000 0.486 50 W N -0.036 121.487 121.300 0.373 0.000 2.381 50 W HA -0.302 4.357 4.660 -0.001 0.000 0.301 50 W C 2.143 178.757 176.519 0.159 0.000 1.205 50 W CA 1.787 59.264 57.345 0.221 0.000 1.285 50 W CB -1.184 28.394 29.460 0.196 0.000 1.133 50 W HN 0.247 nan 8.180 nan 0.000 0.521 51 Y N 0.380 120.765 120.300 0.141 0.000 2.193 51 Y HA -0.283 4.266 4.550 -0.001 0.000 0.285 51 Y C 1.820 177.595 175.900 -0.208 0.000 1.166 51 Y CA 2.389 60.443 58.100 -0.077 0.000 1.181 51 Y CB -1.055 37.229 38.460 -0.293 0.000 0.976 51 Y HN -0.143 nan 8.280 nan 0.000 0.520 52 F N -1.401 118.527 119.950 -0.037 0.000 2.727 52 F HA 0.118 4.644 4.527 -0.001 0.000 0.302 52 F C 1.966 177.499 175.800 -0.444 0.000 1.097 52 F CA 0.941 58.820 58.000 -0.202 0.000 1.330 52 F CB -0.017 38.841 39.000 -0.237 0.000 1.084 52 F HN 0.137 nan 8.300 nan 0.000 0.578 53 T N -5.926 108.247 114.554 -0.635 0.000 3.168 53 T HA 0.339 4.688 4.350 -0.001 0.000 0.261 53 T C 1.739 175.520 174.700 -1.533 0.000 0.931 53 T CA 0.575 62.092 62.100 -0.972 0.000 0.949 53 T CB 0.113 68.555 68.868 -0.711 0.000 1.229 53 T HN 0.182 nan 8.240 nan 0.000 0.504 54 G N 1.777 109.613 108.800 -1.606 0.000 2.168 54 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.257 54 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.257 54 G C -0.210 174.120 174.900 -0.949 0.000 0.997 54 G CA 0.256 44.182 45.100 -1.956 0.000 0.708 54 G HN 0.717 nan 8.290 nan 0.000 0.520 55 F N 1.470 121.107 119.950 -0.520 0.000 2.405 55 F HA 0.503 5.030 4.527 -0.001 0.000 0.355 55 F C 0.640 176.692 175.800 0.419 0.000 1.121 55 F CA -1.809 56.196 58.000 0.007 0.000 1.112 55 F CB 0.797 39.850 39.000 0.088 0.000 1.126 55 F HN 0.041 nan 8.300 nan 0.000 0.481 56 N N 4.994 123.751 118.700 0.094 0.000 2.451 56 N HA 0.075 4.814 4.740 -0.001 0.000 0.264 56 N C -0.785 174.631 175.510 -0.157 0.000 1.167 56 N CA 0.090 53.263 53.050 0.205 0.000 0.898 56 N CB 0.119 38.817 38.487 0.352 0.000 1.176 56 N HN 0.690 nan 8.380 nan 0.000 0.507 57 E N 0.927 120.720 120.200 -0.678 0.000 2.256 57 E HA 0.409 4.759 4.350 -0.001 0.000 0.267 57 E C -2.476 173.753 176.600 -0.618 0.000 0.892 57 E CA -1.919 54.032 56.400 -0.747 0.000 0.775 57 E CB 2.396 31.579 29.700 -0.863 0.000 1.207 57 E HN 0.221 nan 8.360 nan 0.000 0.420 58 P HA 0.093 nan 4.420 nan 0.000 0.284 58 P C -0.905 176.087 177.300 -0.513 0.000 1.292 58 P CA -0.218 62.522 63.100 -0.600 0.000 0.800 58 P CB 0.488 31.745 31.700 -0.740 0.000 1.188 59 E N -2.318 117.514 120.200 -0.613 0.000 2.210 59 E HA -0.099 4.251 4.350 -0.001 0.000 0.201 59 E C -0.417 175.803 176.600 -0.634 0.000 1.339 59 E CA 0.330 56.094 56.400 -1.059 0.000 0.699 59 E CB -1.872 27.115 29.700 -1.188 0.000 1.126 59 E HN 0.630 nan 8.360 nan 0.000 0.355 60 A N 0.190 122.890 122.820 -0.200 0.000 2.486 60 A HA 0.733 5.052 4.320 -0.001 0.000 0.300 60 A C -0.676 177.057 177.584 0.247 0.000 1.048 60 A CA -0.516 51.632 52.037 0.185 0.000 0.696 60 A CB 2.039 21.242 19.000 0.339 0.000 1.278 60 A HN 0.108 nan 8.150 nan 0.000 0.405 61 V N 2.011 122.178 119.914 0.422 0.000 2.686 61 V HA 0.500 4.619 4.120 -0.001 0.000 0.306 61 V C -1.042 175.246 176.094 0.322 0.000 1.065 61 V CA -0.466 61.983 62.300 0.248 0.000 0.894 61 V CB 1.596 33.347 31.823 -0.120 0.000 1.004 61 V HN 0.908 nan 8.190 nan 0.000 0.424 62 L N 5.974 127.360 121.223 0.271 0.000 2.282 62 L HA 0.739 5.078 4.340 -0.001 0.000 0.288 62 L C -0.548 176.304 176.870 -0.030 0.000 1.033 62 L CA 0.116 54.990 54.840 0.055 0.000 0.807 62 L CB 1.562 43.553 42.059 -0.115 0.000 1.209 62 L HN 0.483 nan 8.230 nan 0.000 0.423 63 V N 6.913 126.798 119.914 -0.049 0.000 2.378 63 V HA 0.402 4.521 4.120 -0.001 0.000 0.288 63 V C -0.132 175.866 176.094 -0.160 0.000 1.016 63 V CA -0.534 61.730 62.300 -0.061 0.000 0.840 63 V CB 1.361 33.201 31.823 0.028 0.000 0.994 63 V HN 0.578 nan 8.190 nan 0.000 0.431 64 L N 6.409 127.519 121.223 -0.188 0.000 2.265 64 L HA 0.596 4.935 4.340 -0.001 0.000 0.289 64 L C -0.525 176.226 176.870 -0.199 0.000 1.033 64 L CA -0.279 54.419 54.840 -0.236 0.000 0.814 64 L CB 1.379 43.264 42.059 -0.289 0.000 1.203 64 L HN 0.487 nan 8.230 nan 0.000 0.423 65 I N 4.068 124.464 120.570 -0.290 0.000 2.339 65 I HA 0.284 4.454 4.170 -0.001 0.000 0.290 65 I C 0.032 176.080 176.117 -0.116 0.000 0.994 65 I CA -0.424 60.737 61.300 -0.231 0.000 1.191 65 I CB 1.617 39.365 38.000 -0.421 0.000 1.343 65 I HN 0.526 nan 8.210 nan 0.000 0.458 66 K N 4.734 125.123 120.400 -0.018 0.000 2.334 66 K HA 0.369 4.688 4.320 -0.001 0.000 0.265 66 K C 0.261 176.904 176.600 0.072 0.000 1.039 66 K CA -0.262 56.043 56.287 0.030 0.000 0.920 66 K CB 1.241 33.752 32.500 0.018 0.000 1.160 66 K HN 0.617 nan 8.250 nan 0.000 0.451 67 S N 3.082 118.846 115.700 0.106 0.000 2.348 67 S HA -0.085 4.385 4.470 -0.001 0.000 0.219 67 S C 0.131 174.768 174.600 0.062 0.000 1.033 67 S CA 1.190 59.443 58.200 0.089 0.000 0.974 67 S CB -0.152 63.108 63.200 0.101 0.000 0.868 67 S HN 0.926 nan 8.310 nan 0.000 0.459 68 D N -1.348 119.099 120.400 0.079 0.000 2.759 68 D HA 0.221 4.860 4.640 -0.001 0.000 0.321 68 D C -0.252 176.096 176.300 0.081 0.000 1.267 68 D CA -0.663 53.374 54.000 0.062 0.000 0.933 68 D CB -0.171 40.646 40.800 0.029 0.000 1.431 68 D HN -0.204 nan 8.370 nan 0.000 0.504 69 D N -1.501 118.939 120.400 0.066 0.000 2.354 69 D HA -0.108 4.532 4.640 -0.001 0.000 0.216 69 D C 0.870 177.211 176.300 0.068 0.000 0.970 69 D CA 1.906 55.940 54.000 0.056 0.000 0.905 69 D CB 0.242 41.067 40.800 0.042 0.000 0.903 69 D HN 0.519 nan 8.370 nan 0.000 0.508 70 T N -4.206 110.426 114.554 0.131 0.000 3.009 70 T HA 0.107 4.457 4.350 -0.001 0.000 0.267 70 T C 0.196 174.932 174.700 0.060 0.000 0.942 70 T CA -0.409 61.757 62.100 0.110 0.000 0.883 70 T CB 0.280 69.231 68.868 0.138 0.000 1.192 70 T HN -0.058 nan 8.240 nan 0.000 0.524 71 H N 2.785 121.861 119.070 0.010 0.000 2.505 71 H HA 0.756 5.311 4.556 -0.001 0.000 0.338 71 H C -0.458 174.897 175.328 0.044 0.000 1.057 71 H CA -0.807 55.253 56.048 0.020 0.000 1.202 71 H CB 1.203 30.975 29.762 0.016 0.000 1.466 71 H HN 0.593 nan 8.280 nan 0.000 0.499 72 N N 0.823 119.601 118.700 0.129 0.000 2.598 72 N HA 0.315 5.055 4.740 -0.001 0.000 0.263 72 N C -1.475 174.126 175.510 0.152 0.000 1.254 72 N CA -0.909 52.215 53.050 0.124 0.000 0.863 72 N CB 2.061 40.560 38.487 0.020 0.000 1.586 72 N HN 0.650 nan 8.380 nan 0.000 0.491 73 H N -1.538 117.511 119.070 -0.036 0.000 2.966 73 H HA 0.790 5.346 4.556 -0.001 0.000 0.330 73 H C -1.525 173.759 175.328 -0.073 0.000 1.292 73 H CA -0.848 55.167 56.048 -0.055 0.000 1.127 73 H CB 1.145 30.880 29.762 -0.044 0.000 1.863 73 H HN 0.826 nan 8.280 nan 0.000 0.543 74 S N 0.303 115.939 115.700 -0.106 0.000 2.542 74 S HA 0.677 5.147 4.470 -0.001 0.000 0.293 74 S C -0.968 173.545 174.600 -0.146 0.000 1.089 74 S CA -0.740 57.346 58.200 -0.190 0.000 0.961 74 S CB 1.901 65.006 63.200 -0.159 0.000 1.062 74 S HN 0.503 nan 8.310 nan 0.000 0.483 75 V N 2.616 122.419 119.914 -0.185 0.000 2.638 75 V HA 0.604 4.723 4.120 -0.001 0.000 0.306 75 V C -0.993 174.961 176.094 -0.233 0.000 1.052 75 V CA -0.674 61.498 62.300 -0.213 0.000 0.885 75 V CB 1.521 33.202 31.823 -0.235 0.000 0.999 75 V HN 0.930 nan 8.190 nan 0.000 0.424 76 L N 4.826 125.886 121.223 -0.272 0.000 2.322 76 L HA 0.740 5.080 4.340 -0.001 0.000 0.281 76 L C -1.303 175.414 176.870 -0.256 0.000 1.014 76 L CA 0.091 54.826 54.840 -0.174 0.000 0.815 76 L CB 1.391 43.360 42.059 -0.151 0.000 1.247 76 L HN 0.459 nan 8.230 nan 0.000 0.421 77 F N 5.307 125.314 119.950 0.095 0.000 2.427 77 F HA 0.597 5.124 4.527 -0.001 0.000 0.346 77 F C 0.193 176.148 175.800 0.259 0.000 1.120 77 F CA -0.333 57.766 58.000 0.165 0.000 1.033 77 F CB 1.406 40.520 39.000 0.189 0.000 1.126 77 F HN 0.697 nan 8.300 nan 0.000 0.462 78 N N 1.776 120.715 118.700 0.399 0.000 2.823 78 N HA 0.329 5.069 4.740 -0.001 0.000 0.251 78 N C -1.246 174.439 175.510 0.291 0.000 1.392 78 N CA -1.136 52.123 53.050 0.348 0.000 0.864 78 N CB 1.231 39.902 38.487 0.308 0.000 1.481 78 N HN 0.454 nan 8.380 nan 0.000 0.508 79 R N 0.104 120.730 120.500 0.210 0.000 2.585 79 R HA 0.150 4.490 4.340 -0.001 0.000 0.275 79 R C 0.328 176.717 176.300 0.148 0.000 1.018 79 R CA -0.281 55.910 56.100 0.153 0.000 1.072 79 R CB 0.480 30.814 30.300 0.056 0.000 0.953 79 R HN 0.444 nan 8.270 nan 0.000 0.419 80 V N 3.509 123.503 119.914 0.133 0.000 2.881 80 V HA 0.091 4.210 4.120 -0.001 0.000 0.303 80 V C 0.317 176.468 176.094 0.096 0.000 1.070 80 V CA -0.374 61.991 62.300 0.108 0.000 1.074 80 V CB 1.021 32.904 31.823 0.099 0.000 1.012 80 V HN 0.608 nan 8.190 nan 0.000 0.482 81 R N 3.863 124.413 120.500 0.083 0.000 2.370 81 R HA 0.223 4.562 4.340 -0.001 0.000 0.309 81 R C -0.366 175.982 176.300 0.080 0.000 1.059 81 R CA 0.156 56.304 56.100 0.079 0.000 0.981 81 R CB -0.069 30.269 30.300 0.064 0.000 0.972 81 R HN 0.711 nan 8.270 nan 0.000 0.437 82 D N 4.758 125.214 120.400 0.093 0.000 2.434 82 D HA 0.101 4.741 4.640 -0.001 0.000 0.275 82 D C 0.787 177.144 176.300 0.096 0.000 1.172 82 D CA -0.313 53.745 54.000 0.097 0.000 0.916 82 D CB 0.701 41.574 40.800 0.122 0.000 1.041 82 D HN 0.395 nan 8.370 nan 0.000 0.501 83 L N 2.005 123.273 121.223 0.075 0.000 2.834 83 L HA -0.054 4.286 4.340 -0.001 0.000 0.252 83 L C 1.458 178.371 176.870 0.072 0.000 1.152 83 L CA 0.819 55.698 54.840 0.066 0.000 0.898 83 L CB -0.696 41.393 42.059 0.050 0.000 1.078 83 L HN 0.327 nan 8.230 nan 0.000 0.439 84 T N -6.344 108.264 114.554 0.090 0.000 3.328 84 T HA 0.451 4.800 4.350 -0.001 0.000 0.305 84 T C 0.719 175.504 174.700 0.142 0.000 0.939 84 T CA 0.320 62.482 62.100 0.102 0.000 0.950 84 T CB 0.830 69.743 68.868 0.076 0.000 1.182 84 T HN 0.142 nan 8.240 nan 0.000 0.545 85 A N 0.905 123.821 122.820 0.160 0.000 2.530 85 A HA 0.445 4.764 4.320 -0.001 0.000 0.214 85 A C 1.540 179.256 177.584 0.220 0.000 1.352 85 A CA -0.028 52.132 52.037 0.205 0.000 1.035 85 A CB 0.190 19.337 19.000 0.245 0.000 1.296 85 A HN 0.328 nan 8.150 nan 0.000 0.563 86 E N 0.256 120.557 120.200 0.168 0.000 2.347 86 E HA 0.009 4.358 4.350 -0.001 0.000 0.196 86 E C 1.189 177.827 176.600 0.064 0.000 1.008 86 E CA 0.714 57.196 56.400 0.136 0.000 0.852 86 E CB -0.139 29.622 29.700 0.103 0.000 0.783 86 E HN 0.739 nan 8.360 nan 0.000 0.505 87 I N -0.961 119.638 120.570 0.048 0.000 2.830 87 I HA -0.154 4.016 4.170 -0.001 0.000 0.263 87 I C 1.192 177.148 176.117 -0.267 0.000 1.230 87 I CA 0.834 62.083 61.300 -0.085 0.000 1.480 87 I CB -0.045 37.916 38.000 -0.066 0.000 1.095 87 I HN 0.200 nan 8.210 nan 0.000 0.455 88 W N -0.942 120.161 121.300 -0.327 0.000 2.940 88 W HA 0.222 4.881 4.660 -0.001 0.000 0.297 88 W C 0.549 176.579 176.519 -0.815 0.000 1.149 88 W CA -0.190 56.770 57.345 -0.641 0.000 1.564 88 W CB 0.371 29.237 29.460 -0.989 0.000 1.010 88 W HN -0.120 nan 8.180 nan 0.000 0.578 89 F N 0.728 120.786 119.950 0.180 0.000 2.733 89 F HA 0.557 5.084 4.527 -0.001 0.000 0.380 89 F C 1.028 176.850 175.800 0.037 0.000 1.324 89 F CA -0.721 57.332 58.000 0.087 0.000 1.178 89 F CB -0.082 38.957 39.000 0.065 0.000 1.093 89 F HN -0.064 nan 8.300 nan 0.000 0.512 90 G N 1.493 110.370 108.800 0.128 0.000 2.953 90 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.421 90 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.421 90 G C 0.023 174.976 174.900 0.089 0.000 1.531 90 G CA -0.944 44.204 45.100 0.081 0.000 0.971 90 G HN 0.395 nan 8.290 nan 0.000 0.558 91 R N 0.341 120.880 120.500 0.066 0.000 2.643 91 R HA 0.390 4.729 4.340 -0.001 0.000 0.270 91 R C 0.745 177.093 176.300 0.080 0.000 1.061 91 R CA 0.250 56.393 56.100 0.071 0.000 1.107 91 R CB 0.495 30.832 30.300 0.062 0.000 0.999 91 R HN 0.597 nan 8.270 nan 0.000 0.460 92 R N 1.175 121.731 120.500 0.093 0.000 2.750 92 R HA 0.151 4.490 4.340 -0.001 0.000 0.281 92 R C 0.697 177.079 176.300 0.137 0.000 0.972 92 R CA -0.823 55.345 56.100 0.113 0.000 0.912 92 R CB 1.288 31.652 30.300 0.107 0.000 1.187 92 R HN 0.364 nan 8.270 nan 0.000 0.464 93 L N 1.524 122.872 121.223 0.208 0.000 2.027 93 L HA 0.106 4.446 4.340 -0.001 0.000 0.206 93 L C 0.709 177.636 176.870 0.095 0.000 1.074 93 L CA 2.549 57.490 54.840 0.169 0.000 0.745 93 L CB -0.470 41.721 42.059 0.220 0.000 0.898 93 L HN 0.966 nan 8.230 nan 0.000 0.433 94 G N -1.709 107.156 108.800 0.108 0.000 2.795 94 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.664 94 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.664 94 G C 0.053 174.969 174.900 0.026 0.000 1.381 94 G CA 0.170 45.312 45.100 0.070 0.000 0.853 94 G HN 0.325 nan 8.290 nan 0.000 0.545 95 Q N -0.286 119.526 119.800 0.020 0.000 2.137 95 Q HA 0.093 4.432 4.340 -0.001 0.000 0.198 95 Q C 2.295 178.277 176.000 -0.030 0.000 0.960 95 Q CA 1.990 57.784 55.803 -0.014 0.000 0.847 95 Q CB -0.020 28.714 28.738 -0.006 0.000 0.915 95 Q HN 0.659 nan 8.270 nan 0.000 0.448 96 D N 0.022 120.414 120.400 -0.013 0.000 2.097 96 D HA -0.119 4.520 4.640 -0.001 0.000 0.195 96 D C 1.497 177.780 176.300 -0.028 0.000 0.989 96 D CA 1.570 55.559 54.000 -0.018 0.000 0.827 96 D CB -0.004 40.794 40.800 -0.004 0.000 0.966 96 D HN 0.290 nan 8.370 nan 0.000 0.456 97 A N 1.012 123.817 122.820 -0.024 0.000 2.021 97 A HA 0.225 4.544 4.320 -0.001 0.000 0.216 97 A C 2.288 179.832 177.584 -0.066 0.000 1.163 97 A CA 1.275 53.293 52.037 -0.032 0.000 0.676 97 A CB -0.347 18.647 19.000 -0.011 0.000 0.818 97 A HN 0.189 nan 8.150 nan 0.000 0.453 98 A N 1.081 123.845 122.820 -0.093 0.000 1.884 98 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 98 A C 0.253 177.742 177.584 -0.159 0.000 1.197 98 A CA 2.220 54.157 52.037 -0.167 0.000 0.637 98 A CB -1.860 17.023 19.000 -0.195 0.000 0.827 98 A HN 0.437 nan 8.150 nan 0.000 0.450 99 P HA -0.208 nan 4.420 nan 0.000 0.216 99 P C 1.641 178.884 177.300 -0.095 0.000 1.157 99 P CA 1.625 64.660 63.100 -0.107 0.000 0.880 99 P CB -0.020 31.631 31.700 -0.082 0.000 0.791 100 E N -0.088 120.065 120.200 -0.077 0.000 2.051 100 E HA -0.185 4.165 4.350 -0.001 0.000 0.189 100 E C 1.952 178.512 176.600 -0.068 0.000 0.979 100 E CA 1.299 57.662 56.400 -0.061 0.000 0.803 100 E CB -0.297 29.377 29.700 -0.043 0.000 0.761 100 E HN -0.068 nan 8.360 nan 0.000 0.451 101 K N 0.249 120.601 120.400 -0.079 0.000 2.002 101 K HA -0.089 4.231 4.320 -0.001 0.000 0.209 101 K C 1.901 178.427 176.600 -0.124 0.000 1.048 101 K CA 1.035 57.272 56.287 -0.083 0.000 0.930 101 K CB -0.298 32.154 32.500 -0.080 0.000 0.714 101 K HN 0.100 nan 8.250 nan 0.000 0.438 102 L N -0.228 120.882 121.223 -0.188 0.000 2.567 102 L HA 0.323 4.662 4.340 -0.001 0.000 0.225 102 L C 0.845 177.603 176.870 -0.186 0.000 1.119 102 L CA 1.177 55.870 54.840 -0.245 0.000 0.871 102 L CB -0.301 41.537 42.059 -0.370 0.000 1.036 102 L HN 0.534 nan 8.230 nan 0.000 0.459 103 G N 0.561 109.281 108.800 -0.134 0.000 2.246 103 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.273 103 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.273 103 G C 0.234 175.068 174.900 -0.111 0.000 1.055 103 G CA 0.411 45.450 45.100 -0.100 0.000 0.851 103 G HN 0.367 nan 8.290 nan 0.000 0.500 104 V N -3.652 116.184 119.914 -0.130 0.000 2.769 104 V HA 0.714 4.834 4.120 -0.001 0.000 0.312 104 V C 1.059 177.095 176.094 -0.097 0.000 1.058 104 V CA -0.220 62.003 62.300 -0.127 0.000 0.952 104 V CB 1.867 33.592 31.823 -0.164 0.000 1.019 104 V HN 0.021 nan 8.190 nan 0.000 0.445 105 D N 1.267 121.624 120.400 -0.072 0.000 2.117 105 D HA -0.012 4.628 4.640 -0.001 0.000 0.198 105 D C 0.863 177.128 176.300 -0.057 0.000 0.982 105 D CA 1.616 55.590 54.000 -0.043 0.000 0.828 105 D CB 0.433 41.243 40.800 0.015 0.000 0.967 105 D HN 0.664 nan 8.370 nan 0.000 0.464 106 R N -0.635 119.817 120.500 -0.079 0.000 2.740 106 R HA 0.585 4.924 4.340 -0.001 0.000 0.273 106 R C -1.933 174.268 176.300 -0.164 0.000 0.998 106 R CA -0.609 55.428 56.100 -0.104 0.000 0.900 106 R CB 2.126 32.374 30.300 -0.086 0.000 1.223 106 R HN -0.053 nan 8.270 nan 0.000 0.466 107 A N 4.078 126.799 122.820 -0.164 0.000 2.398 107 A HA 0.694 5.014 4.320 -0.001 0.000 0.301 107 A C -1.517 175.955 177.584 -0.186 0.000 1.041 107 A CA -0.685 51.237 52.037 -0.191 0.000 0.711 107 A CB 1.155 20.073 19.000 -0.137 0.000 1.240 107 A HN 0.543 nan 8.150 nan 0.000 0.420 108 L N 1.252 122.318 121.223 -0.262 0.000 2.333 108 L HA 0.777 5.116 4.340 -0.001 0.000 0.263 108 L C 0.597 177.500 176.870 0.056 0.000 1.014 108 L CA -1.119 53.629 54.840 -0.153 0.000 0.820 108 L CB 2.107 43.986 42.059 -0.300 0.000 1.352 108 L HN 0.831 nan 8.230 nan 0.000 0.421 109 A N 0.417 123.323 122.820 0.144 0.000 2.488 109 A HA 0.102 4.422 4.320 -0.001 0.000 0.249 109 A C 0.532 178.330 177.584 0.356 0.000 1.083 109 A CA -0.019 52.150 52.037 0.220 0.000 0.768 109 A CB -0.199 18.893 19.000 0.154 0.000 1.017 109 A HN 0.725 nan 8.150 nan 0.000 0.496 110 F N 3.174 123.269 119.950 0.242 0.000 2.250 110 F HA -0.208 4.318 4.527 -0.001 0.000 0.301 110 F C 2.421 178.299 175.800 0.131 0.000 1.077 110 F CA 2.322 60.458 58.000 0.228 0.000 1.348 110 F CB -0.046 39.051 39.000 0.162 0.000 1.040 110 F HN 0.587 nan 8.300 nan 0.000 0.509 111 S N -1.047 114.749 115.700 0.160 0.000 2.507 111 S HA -0.109 4.360 4.470 -0.001 0.000 0.235 111 S C 1.399 175.981 174.600 -0.031 0.000 0.988 111 S CA 1.034 59.261 58.200 0.046 0.000 0.944 111 S CB -0.367 62.896 63.200 0.104 0.000 0.762 111 S HN 0.459 nan 8.310 nan 0.000 0.526 112 E N 0.451 120.656 120.200 0.007 0.000 2.498 112 E HA 0.333 4.683 4.350 -0.001 0.000 0.203 112 E C 1.398 177.976 176.600 -0.037 0.000 1.013 112 E CA -0.197 56.221 56.400 0.031 0.000 0.927 112 E CB -0.126 29.647 29.700 0.122 0.000 1.012 112 E HN 0.576 nan 8.360 nan 0.000 0.482 113 I N 1.242 121.635 120.570 -0.294 0.000 2.248 113 I HA -0.357 3.812 4.170 -0.001 0.000 0.248 113 I C 1.349 177.249 176.117 -0.362 0.000 1.107 113 I CA 1.378 62.273 61.300 -0.675 0.000 1.373 113 I CB 0.079 37.429 38.000 -1.083 0.000 1.055 113 I HN 0.091 nan 8.210 nan 0.000 0.418 114 N N -0.261 118.307 118.700 -0.219 0.000 2.396 114 N HA -0.184 4.555 4.740 -0.001 0.000 0.180 114 N C 1.373 176.919 175.510 0.061 0.000 1.028 114 N CA 0.642 53.643 53.050 -0.082 0.000 0.893 114 N CB 0.125 38.562 38.487 -0.083 0.000 0.967 114 N HN 0.354 nan 8.380 nan 0.000 0.440 115 Q N -0.254 119.590 119.800 0.074 0.000 2.408 115 Q HA 0.154 4.493 4.340 -0.001 0.000 0.205 115 Q C 1.252 177.365 176.000 0.189 0.000 0.919 115 Q CA 0.539 56.457 55.803 0.191 0.000 0.932 115 Q CB 0.594 29.400 28.738 0.114 0.000 1.058 115 Q HN 0.279 nan 8.270 nan 0.000 0.517 116 Q N -1.138 118.726 119.800 0.107 0.000 2.477 116 Q HA 0.142 4.481 4.340 -0.001 0.000 0.252 116 Q C 1.687 177.710 176.000 0.038 0.000 0.869 116 Q CA 0.048 55.897 55.803 0.077 0.000 0.969 116 Q CB -0.077 28.834 28.738 0.288 0.000 1.144 116 Q HN 0.275 nan 8.270 nan 0.000 0.577 117 L N 1.744 122.979 121.223 0.021 0.000 2.013 117 L HA -0.224 4.115 4.340 -0.001 0.000 0.212 117 L C 2.462 179.361 176.870 0.047 0.000 1.073 117 L CA 2.135 56.986 54.840 0.018 0.000 0.753 117 L CB -1.084 40.922 42.059 -0.088 0.000 0.890 117 L HN 0.322 nan 8.230 nan 0.000 0.432 118 Y N -0.912 119.387 120.300 -0.002 0.000 2.256 118 Y HA -0.203 4.346 4.550 -0.001 0.000 0.288 118 Y C 2.227 178.143 175.900 0.027 0.000 1.155 118 Y CA 1.509 59.613 58.100 0.007 0.000 1.203 118 Y CB -1.309 37.147 38.460 -0.006 0.000 0.980 118 Y HN 0.364 nan 8.280 nan 0.000 0.530 119 Q N 0.517 119.844 119.800 -0.789 0.000 2.167 119 Q HA -0.058 4.281 4.340 -0.001 0.000 0.202 119 Q C 2.202 178.091 176.000 -0.184 0.000 0.970 119 Q CA 1.575 57.040 55.803 -0.563 0.000 0.855 119 Q CB -0.131 28.279 28.738 -0.548 0.000 0.911 119 Q HN 0.590 nan 8.270 nan 0.000 0.438 120 L N -0.075 121.096 121.223 -0.087 0.000 2.240 120 L HA -0.088 4.251 4.340 -0.001 0.000 0.211 120 L C 1.957 178.841 176.870 0.023 0.000 1.106 120 L CA 0.635 55.478 54.840 0.006 0.000 0.793 120 L CB -0.080 42.018 42.059 0.064 0.000 0.927 120 L HN 0.227 nan 8.230 nan 0.000 0.446 121 L N -0.906 120.334 121.223 0.028 0.000 2.375 121 L HA 0.023 4.362 4.340 -0.001 0.000 0.215 121 L C 0.820 177.717 176.870 0.046 0.000 1.108 121 L CA -0.266 54.603 54.840 0.049 0.000 0.830 121 L CB -0.434 41.664 42.059 0.066 0.000 0.959 121 L HN 0.235 nan 8.230 nan 0.000 0.457 122 N N 1.347 120.069 118.700 0.037 0.000 2.365 122 N HA 0.045 4.784 4.740 -0.001 0.000 0.265 122 N C 1.107 176.636 175.510 0.033 0.000 1.288 122 N CA 1.376 54.453 53.050 0.045 0.000 0.869 122 N CB 0.573 39.078 38.487 0.030 0.000 1.071 122 N HN 0.347 nan 8.380 nan 0.000 0.480 123 G N 2.341 111.163 108.800 0.036 0.000 2.199 123 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.254 123 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.254 123 G C 0.163 175.080 174.900 0.028 0.000 0.982 123 G CA 0.389 45.505 45.100 0.028 0.000 0.632 123 G HN 0.551 nan 8.290 nan 0.000 0.529 124 L N 0.610 121.853 121.223 0.034 0.000 2.453 124 L HA 0.379 4.719 4.340 -0.001 0.000 0.261 124 L C 1.090 177.976 176.870 0.027 0.000 1.179 124 L CA -0.453 54.409 54.840 0.036 0.000 0.813 124 L CB 0.414 42.501 42.059 0.046 0.000 1.110 124 L HN -0.034 nan 8.230 nan 0.000 0.466 125 D N 0.151 120.566 120.400 0.025 0.000 2.301 125 D HA 0.102 4.741 4.640 -0.001 0.000 0.206 125 D C 0.009 176.303 176.300 -0.009 0.000 0.979 125 D CA 0.910 54.916 54.000 0.011 0.000 0.874 125 D CB 0.891 41.700 40.800 0.014 0.000 0.968 125 D HN 0.132 nan 8.370 nan 0.000 0.510 126 V N 0.876 120.784 119.914 -0.010 0.000 2.841 126 V HA 0.384 4.503 4.120 -0.001 0.000 0.310 126 V C -0.671 175.386 176.094 -0.062 0.000 1.090 126 V CA -0.981 61.269 62.300 -0.084 0.000 0.930 126 V CB 3.140 34.867 31.823 -0.161 0.000 1.014 126 V HN -0.192 nan 8.190 nan 0.000 0.425 127 V N 4.998 124.847 119.914 -0.108 0.000 2.531 127 V HA 0.615 4.735 4.120 -0.001 0.000 0.301 127 V C -1.607 174.473 176.094 -0.024 0.000 1.034 127 V CA -0.345 61.965 62.300 0.016 0.000 0.865 127 V CB 1.637 33.497 31.823 0.061 0.000 0.995 127 V HN 0.749 nan 8.190 nan 0.000 0.424 128 Y N 6.603 127.034 120.300 0.220 0.000 2.367 128 Y HA 0.670 5.220 4.550 -0.001 0.000 0.342 128 Y C 0.108 176.324 175.900 0.526 0.000 0.979 128 Y CA -0.029 58.273 58.100 0.337 0.000 1.161 128 Y CB 1.014 39.696 38.460 0.371 0.000 1.155 128 Y HN 0.868 nan 8.280 nan 0.000 0.503 129 H N 1.495 120.751 119.070 0.310 0.000 2.954 129 H HA 0.655 5.210 4.556 -0.001 0.000 0.361 129 H C -1.291 173.918 175.328 -0.198 0.000 1.122 129 H CA -1.018 55.152 56.048 0.204 0.000 1.217 129 H CB 1.453 31.318 29.762 0.171 0.000 1.776 129 H HN 0.654 nan 8.280 nan 0.000 0.533 130 A N 4.935 127.206 122.820 -0.915 0.000 2.990 130 A HA 0.167 4.486 4.320 -0.001 0.000 0.282 130 A C 0.343 177.341 177.584 -0.976 0.000 1.688 130 A CA -0.408 51.009 52.037 -1.034 0.000 1.391 130 A CB -0.807 17.530 19.000 -1.105 0.000 1.112 130 A HN 0.780 nan 8.150 nan 0.000 0.588 131 Q N 0.808 120.107 119.800 -0.835 0.000 2.263 131 Q HA 0.344 4.683 4.340 -0.001 0.000 0.289 131 Q C 1.264 177.076 176.000 -0.313 0.000 1.061 131 Q CA 1.444 56.950 55.803 -0.495 0.000 0.927 131 Q CB 0.150 28.780 28.738 -0.181 0.000 1.154 131 Q HN 1.319 nan 8.270 nan 0.000 0.378 132 G N 3.287 111.953 108.800 -0.223 0.000 2.194 132 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.236 132 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.236 132 G C 0.655 175.431 174.900 -0.207 0.000 0.987 132 G CA 0.418 45.419 45.100 -0.166 0.000 0.635 132 G HN 0.683 nan 8.290 nan 0.000 0.520 133 E N -0.240 119.771 120.200 -0.315 0.000 2.028 133 E HA 0.125 4.474 4.350 -0.001 0.000 0.191 133 E C 0.233 176.527 176.600 -0.509 0.000 0.988 133 E CA 1.242 57.365 56.400 -0.461 0.000 0.799 133 E CB -0.057 29.322 29.700 -0.534 0.000 0.755 133 E HN 0.571 nan 8.360 nan 0.000 0.447 134 Y N -1.578 118.676 120.300 -0.078 0.000 2.406 134 Y HA 0.571 5.120 4.550 -0.001 0.000 0.340 134 Y C 0.707 176.557 175.900 -0.084 0.000 0.975 134 Y CA -0.610 57.475 58.100 -0.024 0.000 1.056 134 Y CB 1.714 40.198 38.460 0.040 0.000 1.210 134 Y HN 0.025 nan 8.280 nan 0.000 0.448 135 A N 2.722 125.654 122.820 0.186 0.000 1.883 135 A HA -0.253 4.066 4.320 -0.001 0.000 0.217 135 A C 1.847 179.471 177.584 0.066 0.000 1.186 135 A CA 2.227 54.320 52.037 0.094 0.000 0.624 135 A CB -1.184 17.881 19.000 0.108 0.000 0.822 135 A HN 0.950 nan 8.150 nan 0.000 0.444 136 Y N -0.610 119.711 120.300 0.035 0.000 2.333 136 Y HA 0.093 4.643 4.550 -0.001 0.000 0.290 136 Y C 2.236 178.110 175.900 -0.044 0.000 1.144 136 Y CA 0.759 58.869 58.100 0.016 0.000 1.228 136 Y CB -0.749 37.732 38.460 0.034 0.000 0.985 136 Y HN 0.223 nan 8.280 nan 0.000 0.542 137 A N 0.700 122.925 122.820 -0.992 0.000 1.930 137 A HA -0.090 4.229 4.320 -0.001 0.000 0.215 137 A C 1.804 178.997 177.584 -0.652 0.000 1.176 137 A CA 1.432 52.673 52.037 -1.327 0.000 0.632 137 A CB -0.679 17.330 19.000 -1.652 0.000 0.819 137 A HN 0.487 nan 8.150 nan 0.000 0.445 138 D N -0.068 120.156 120.400 -0.293 0.000 2.144 138 D HA -0.099 4.541 4.640 -0.001 0.000 0.199 138 D C 2.047 178.275 176.300 -0.121 0.000 0.984 138 D CA 1.256 55.192 54.000 -0.106 0.000 0.834 138 D CB -0.388 40.402 40.800 -0.017 0.000 0.955 138 D HN 0.196 nan 8.370 nan 0.000 0.465 139 V N 1.197 121.049 119.914 -0.102 0.000 2.295 139 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 139 V C 2.523 178.577 176.094 -0.067 0.000 1.049 139 V CA 1.169 63.436 62.300 -0.054 0.000 1.024 139 V CB -0.325 31.496 31.823 -0.004 0.000 0.648 139 V HN 0.189 nan 8.190 nan 0.000 0.447 140 I N -0.540 119.976 120.570 -0.089 0.000 2.179 140 I HA -0.209 3.961 4.170 -0.001 0.000 0.242 140 I C 2.357 178.437 176.117 -0.063 0.000 1.088 140 I CA 1.310 62.578 61.300 -0.052 0.000 1.357 140 I CB -0.381 37.635 38.000 0.026 0.000 1.051 140 I HN 0.148 nan 8.210 nan 0.000 0.409 141 V N 1.121 120.954 119.914 -0.135 0.000 2.307 141 V HA -0.252 3.867 4.120 -0.001 0.000 0.245 141 V C 2.134 178.158 176.094 -0.116 0.000 1.045 141 V CA 1.887 64.086 62.300 -0.169 0.000 1.024 141 V CB -0.848 30.672 31.823 -0.505 0.000 0.651 141 V HN 0.438 nan 8.190 nan 0.000 0.449 142 N N -0.018 118.618 118.700 -0.106 0.000 2.166 142 N HA -0.146 4.594 4.740 -0.001 0.000 0.186 142 N C 2.133 177.613 175.510 -0.049 0.000 1.019 142 N CA 1.729 54.742 53.050 -0.062 0.000 0.856 142 N CB -0.502 37.957 38.487 -0.047 0.000 0.993 142 N HN 0.442 nan 8.380 nan 0.000 0.426 143 S N 0.365 116.034 115.700 -0.052 0.000 2.368 143 S HA -0.027 4.442 4.470 -0.001 0.000 0.225 143 S C 1.951 176.519 174.600 -0.053 0.000 1.030 143 S CA 1.253 59.421 58.200 -0.053 0.000 0.999 143 S CB -0.203 62.966 63.200 -0.052 0.000 0.844 143 S HN 0.397 nan 8.310 nan 0.000 0.459 144 A N 1.398 124.201 122.820 -0.028 0.000 1.873 144 A HA 0.086 4.406 4.320 -0.001 0.000 0.215 144 A C 2.208 179.807 177.584 0.023 0.000 1.186 144 A CA 1.359 53.410 52.037 0.022 0.000 0.616 144 A CB -0.803 18.235 19.000 0.064 0.000 0.823 144 A HN 0.568 nan 8.150 nan 0.000 0.442 145 L N -0.996 120.229 121.223 0.003 0.000 2.083 145 L HA -0.181 4.158 4.340 -0.001 0.000 0.209 145 L C 2.644 179.508 176.870 -0.010 0.000 1.083 145 L CA 1.668 56.511 54.840 0.005 0.000 0.752 145 L CB -0.462 41.592 42.059 -0.008 0.000 0.899 145 L HN 0.408 nan 8.230 nan 0.000 0.433 146 E N 0.714 120.896 120.200 -0.029 0.000 2.077 146 E HA -0.240 4.110 4.350 -0.001 0.000 0.193 146 E C 2.125 178.692 176.600 -0.055 0.000 0.989 146 E CA 1.326 57.703 56.400 -0.038 0.000 0.800 146 E CB 0.012 29.685 29.700 -0.044 0.000 0.746 146 E HN 0.191 nan 8.360 nan 0.000 0.452 147 K N -0.298 120.049 120.400 -0.088 0.000 2.057 147 K HA -0.115 4.204 4.320 -0.001 0.000 0.207 147 K C 2.058 178.601 176.600 -0.096 0.000 1.049 147 K CA 1.284 57.477 56.287 -0.156 0.000 0.931 147 K CB -0.119 32.186 32.500 -0.326 0.000 0.714 147 K HN 0.162 nan 8.250 nan 0.000 0.440 148 L N 0.063 121.275 121.223 -0.018 0.000 2.027 148 L HA -0.132 4.208 4.340 -0.001 0.000 0.206 148 L C 2.556 179.436 176.870 0.017 0.000 1.074 148 L CA 1.157 56.023 54.840 0.042 0.000 0.745 148 L CB -0.353 41.755 42.059 0.082 0.000 0.898 148 L HN 0.131 nan 8.230 nan 0.000 0.433 149 R N 0.485 120.986 120.500 0.002 0.000 2.091 149 R HA -0.165 4.174 4.340 -0.001 0.000 0.238 149 R C 1.845 178.140 176.300 -0.008 0.000 1.136 149 R CA 1.378 57.477 56.100 -0.002 0.000 0.959 149 R CB -0.175 30.120 30.300 -0.008 0.000 0.856 149 R HN 0.302 nan 8.270 nan 0.000 0.437 150 K N -0.402 119.986 120.400 -0.020 0.000 2.458 150 K HA 0.072 4.391 4.320 -0.001 0.000 0.194 150 K C 0.951 177.538 176.600 -0.022 0.000 1.024 150 K CA 0.364 56.636 56.287 -0.024 0.000 1.108 150 K CB 0.910 33.389 32.500 -0.035 0.000 0.846 150 K HN 0.190 nan 8.250 nan 0.000 0.518 151 G N 0.926 109.718 108.800 -0.014 0.000 3.820 151 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.293 151 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.293 151 G C 0.994 175.902 174.900 0.013 0.000 1.152 151 G CA -0.268 44.830 45.100 -0.003 0.000 0.921 151 G HN 0.222 nan 8.290 nan 0.000 0.544 152 S N 0.714 116.419 115.700 0.008 0.000 2.400 152 S HA -0.170 4.299 4.470 -0.001 0.000 0.232 152 S C 2.094 176.701 174.600 0.012 0.000 1.025 152 S CA 0.630 58.837 58.200 0.011 0.000 0.993 152 S CB -0.228 62.976 63.200 0.007 0.000 0.808 152 S HN 0.439 nan 8.310 nan 0.000 0.478 153 R N 0.566 121.071 120.500 0.008 0.000 2.237 153 R HA 0.099 4.439 4.340 -0.001 0.000 0.219 153 R C 1.238 177.546 176.300 0.014 0.000 1.080 153 R CA 1.042 57.146 56.100 0.008 0.000 0.995 153 R CB -0.180 30.122 30.300 0.003 0.000 0.875 153 R HN 0.445 nan 8.270 nan 0.000 0.462 154 Q N -0.130 119.682 119.800 0.020 0.000 2.198 154 Q HA 0.154 4.494 4.340 -0.001 0.000 0.209 154 Q C -0.525 175.498 176.000 0.039 0.000 0.848 154 Q CA -0.081 55.741 55.803 0.032 0.000 0.974 154 Q CB 0.431 29.195 28.738 0.044 0.000 1.115 154 Q HN 0.150 nan 8.270 nan 0.000 0.494 155 N N 0.032 118.750 118.700 0.030 0.000 2.747 155 N HA -0.181 4.558 4.740 -0.001 0.000 0.249 155 N C -1.095 174.439 175.510 0.040 0.000 1.107 155 N CA 0.622 53.690 53.050 0.029 0.000 0.707 155 N CB -1.592 36.910 38.487 0.024 0.000 1.054 155 N HN 0.308 nan 8.380 nan 0.000 0.555 156 L N 0.458 121.710 121.223 0.050 0.000 2.322 156 L HA 0.603 4.942 4.340 -0.001 0.000 0.279 156 L C 0.894 177.793 176.870 0.049 0.000 1.036 156 L CA -0.453 54.428 54.840 0.068 0.000 0.807 156 L CB 1.898 44.020 42.059 0.105 0.000 1.226 156 L HN 0.161 nan 8.230 nan 0.000 0.433 157 T N -0.655 113.929 114.554 0.050 0.000 2.912 157 T HA 0.776 5.125 4.350 -0.001 0.000 0.299 157 T C -0.621 174.103 174.700 0.041 0.000 1.052 157 T CA -0.787 61.335 62.100 0.036 0.000 0.996 157 T CB 1.977 70.861 68.868 0.026 0.000 1.070 157 T HN 0.669 nan 8.240 nan 0.000 0.465 158 A N 3.778 126.617 122.820 0.032 0.000 2.303 158 A HA 0.841 5.161 4.320 -0.001 0.000 0.317 158 A C -2.403 175.193 177.584 0.020 0.000 1.149 158 A CA -1.965 50.090 52.037 0.031 0.000 0.822 158 A CB 0.123 19.137 19.000 0.023 0.000 1.131 158 A HN 0.769 nan 8.150 nan 0.000 0.493 159 P HA 0.202 nan 4.420 nan 0.000 0.271 159 P C 0.411 177.710 177.300 -0.002 0.000 1.220 159 P CA 0.251 63.356 63.100 0.008 0.000 0.768 159 P CB 1.382 33.087 31.700 0.008 0.000 0.848 160 A N 3.385 126.201 122.820 -0.007 0.000 2.123 160 A HA 0.062 4.382 4.320 -0.001 0.000 0.214 160 A C 0.918 178.489 177.584 -0.021 0.000 1.152 160 A CA 0.950 52.981 52.037 -0.010 0.000 0.728 160 A CB -0.444 18.552 19.000 -0.008 0.000 0.814 160 A HN 0.537 nan 8.150 nan 0.000 0.464 161 T N 0.754 115.287 114.554 -0.035 0.000 2.771 161 T HA 0.529 4.878 4.350 -0.001 0.000 0.281 161 T C -0.504 174.143 174.700 -0.088 0.000 0.982 161 T CA -0.072 61.992 62.100 -0.060 0.000 0.978 161 T CB 1.069 69.893 68.868 -0.073 0.000 0.930 161 T HN 0.356 nan 8.240 nan 0.000 0.447 162 M N 5.235 124.788 119.600 -0.077 0.000 2.181 162 M HA 0.572 5.051 4.480 -0.001 0.000 0.323 162 M C -1.739 174.499 176.300 -0.105 0.000 1.004 162 M CA -0.722 54.534 55.300 -0.074 0.000 0.941 162 M CB 0.600 33.197 32.600 -0.006 0.000 1.579 162 M HN 0.546 nan 8.290 nan 0.000 0.427 163 I N 3.468 123.928 120.570 -0.183 0.000 2.433 163 I HA 0.273 4.442 4.170 -0.001 0.000 0.292 163 I C -0.526 175.596 176.117 0.008 0.000 1.001 163 I CA -0.828 60.396 61.300 -0.126 0.000 1.119 163 I CB 1.822 39.670 38.000 -0.252 0.000 1.289 163 I HN 0.595 nan 8.210 nan 0.000 0.438 164 D N 6.828 127.209 120.400 -0.031 0.000 2.339 164 D HA 0.011 4.650 4.640 -0.001 0.000 0.256 164 D C 0.821 177.108 176.300 -0.022 0.000 1.214 164 D CA -0.309 53.595 54.000 -0.159 0.000 0.877 164 D CB 0.643 41.321 40.800 -0.203 0.000 1.111 164 D HN 0.527 nan 8.370 nan 0.000 0.478 165 W N 3.969 125.342 121.300 0.122 0.000 3.047 165 W HA 0.085 4.745 4.660 -0.001 0.000 0.250 165 W C 1.080 177.580 176.519 -0.031 0.000 1.314 165 W CA -0.607 56.801 57.345 0.106 0.000 1.540 165 W CB -0.341 29.189 29.460 0.116 0.000 1.127 165 W HN 0.319 nan 8.180 nan 0.000 0.679 166 R N 1.286 121.657 120.500 -0.214 0.000 2.091 166 R HA -0.136 4.204 4.340 -0.001 0.000 0.238 166 R C -0.367 175.683 176.300 -0.416 0.000 1.136 166 R CA 2.097 57.933 56.100 -0.441 0.000 0.959 166 R CB -1.689 28.195 30.300 -0.693 0.000 0.856 166 R HN 0.116 nan 8.270 nan 0.000 0.437 167 P HA -0.132 nan 4.420 nan 0.000 0.215 167 P C 1.313 178.641 177.300 0.047 0.000 1.153 167 P CA 1.094 64.174 63.100 -0.034 0.000 0.853 167 P CB 0.095 31.801 31.700 0.011 0.000 0.788 168 V N -0.649 119.324 119.914 0.100 0.000 2.307 168 V HA -0.171 3.948 4.120 -0.001 0.000 0.245 168 V C 2.412 178.605 176.094 0.165 0.000 1.045 168 V CA 1.663 64.042 62.300 0.132 0.000 1.024 168 V CB -1.090 30.819 31.823 0.144 0.000 0.651 168 V HN -0.048 nan 8.190 nan 0.000 0.449 169 V N -0.299 119.755 119.914 0.234 0.000 2.427 169 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 169 V C 2.201 178.422 176.094 0.212 0.000 1.051 169 V CA 2.116 64.588 62.300 0.285 0.000 1.048 169 V CB -0.931 31.174 31.823 0.470 0.000 0.666 169 V HN 0.680 nan 8.190 nan 0.000 0.456 170 H N -0.644 118.482 119.070 0.094 0.000 2.423 170 H HA -0.151 4.404 4.556 -0.001 0.000 0.297 170 H C 2.371 177.664 175.328 -0.057 0.000 1.075 170 H CA 1.165 57.204 56.048 -0.015 0.000 1.342 170 H CB 0.312 30.083 29.762 0.015 0.000 1.395 170 H HN 0.383 nan 8.280 nan 0.000 0.530 171 E N 1.150 121.428 120.200 0.130 0.000 2.150 171 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 171 E C 2.055 178.737 176.600 0.137 0.000 0.985 171 E CA 0.875 57.335 56.400 0.099 0.000 0.814 171 E CB -0.028 29.737 29.700 0.107 0.000 0.752 171 E HN 0.417 nan 8.360 nan 0.000 0.466 172 M N -0.505 119.162 119.600 0.112 0.000 2.123 172 M HA -0.033 4.447 4.480 -0.001 0.000 0.263 172 M C 2.289 178.628 176.300 0.065 0.000 1.069 172 M CA 1.401 56.779 55.300 0.129 0.000 1.133 172 M CB -0.079 32.627 32.600 0.177 0.000 1.356 172 M HN -0.025 nan 8.290 nan 0.000 0.415 173 R N 0.111 120.519 120.500 -0.154 0.000 2.193 173 R HA -0.118 4.222 4.340 -0.001 0.000 0.229 173 R C 1.998 178.202 176.300 -0.160 0.000 1.110 173 R CA 0.797 56.729 56.100 -0.280 0.000 0.988 173 R CB -0.439 29.587 30.300 -0.457 0.000 0.871 173 R HN 0.239 nan 8.270 nan 0.000 0.458 174 L N -0.064 121.041 121.223 -0.197 0.000 2.201 174 L HA -0.018 4.322 4.340 -0.001 0.000 0.212 174 L C -0.125 176.421 176.870 -0.540 0.000 1.105 174 L CA 1.548 56.102 54.840 -0.477 0.000 0.775 174 L CB 0.095 41.784 42.059 -0.618 0.000 0.913 174 L HN -0.113 nan 8.230 nan 0.000 0.440 175 F N 0.715 120.572 119.950 -0.155 0.000 2.347 175 F HA 0.395 4.922 4.527 -0.001 0.000 0.366 175 F C 0.483 176.267 175.800 -0.028 0.000 1.107 175 F CA -1.011 56.933 58.000 -0.093 0.000 1.058 175 F CB 0.567 39.525 39.000 -0.070 0.000 1.236 175 F HN -0.306 nan 8.300 nan 0.000 0.456 176 K N 1.731 122.179 120.400 0.081 0.000 2.326 176 K HA 0.303 4.622 4.320 -0.001 0.000 0.275 176 K C 0.326 176.968 176.600 0.070 0.000 1.018 176 K CA -0.276 56.057 56.287 0.078 0.000 0.962 176 K CB 0.684 33.199 32.500 0.025 0.000 0.953 176 K HN 0.591 nan 8.250 nan 0.000 0.475 177 S N 2.146 117.872 115.700 0.044 0.000 2.681 177 S HA 0.322 4.791 4.470 -0.001 0.000 0.270 177 S C -1.712 172.874 174.600 -0.024 0.000 1.209 177 S CA -1.137 57.068 58.200 0.008 0.000 0.988 177 S CB 1.008 64.195 63.200 -0.021 0.000 1.006 177 S HN 0.319 nan 8.310 nan 0.000 0.558 178 P HA -0.068 nan 4.420 nan 0.000 0.216 178 P C 1.249 178.514 177.300 -0.059 0.000 1.150 178 P CA 1.247 64.326 63.100 -0.035 0.000 0.837 178 P CB 0.022 31.704 31.700 -0.029 0.000 0.786 179 E N -0.349 119.804 120.200 -0.078 0.000 2.077 179 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 179 E C 1.933 178.444 176.600 -0.148 0.000 0.989 179 E CA 1.036 57.374 56.400 -0.103 0.000 0.800 179 E CB -0.256 29.367 29.700 -0.129 0.000 0.746 179 E HN 0.430 nan 8.360 nan 0.000 0.452 180 E N 0.353 120.449 120.200 -0.173 0.000 2.106 180 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 180 E C 2.119 178.549 176.600 -0.284 0.000 0.984 180 E CA 0.619 56.824 56.400 -0.325 0.000 0.806 180 E CB 0.001 29.581 29.700 -0.199 0.000 0.750 180 E HN 0.281 nan 8.360 nan 0.000 0.458 181 I N 1.089 121.575 120.570 -0.139 0.000 2.315 181 I HA -0.241 3.928 4.170 -0.001 0.000 0.248 181 I C 2.513 178.583 176.117 -0.079 0.000 1.117 181 I CA 0.781 62.028 61.300 -0.088 0.000 1.404 181 I CB -0.237 37.737 38.000 -0.044 0.000 1.071 181 I HN 0.077 nan 8.210 nan 0.000 0.419 182 A N 0.368 123.143 122.820 -0.075 0.000 1.902 182 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 182 A C 2.407 179.976 177.584 -0.024 0.000 1.181 182 A CA 1.594 53.607 52.037 -0.041 0.000 0.623 182 A CB -0.834 18.148 19.000 -0.030 0.000 0.818 182 A HN 0.239 nan 8.150 nan 0.000 0.443 183 V N -0.139 119.733 119.914 -0.070 0.000 2.358 183 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 183 V C 2.515 178.629 176.094 0.034 0.000 1.047 183 V CA 1.777 64.085 62.300 0.012 0.000 1.035 183 V CB -0.690 31.042 31.823 -0.152 0.000 0.658 183 V HN 0.551 nan 8.190 nan 0.000 0.452 184 L N -0.384 120.781 121.223 -0.095 0.000 2.141 184 L HA -0.145 4.194 4.340 -0.001 0.000 0.209 184 L C 2.714 179.590 176.870 0.010 0.000 1.094 184 L CA 1.519 56.355 54.840 -0.006 0.000 0.763 184 L CB -0.497 41.547 42.059 -0.025 0.000 0.908 184 L HN 0.256 nan 8.230 nan 0.000 0.437 185 R N 0.120 120.611 120.500 -0.014 0.000 2.081 185 R HA -0.220 4.120 4.340 -0.001 0.000 0.235 185 R C 2.452 178.728 176.300 -0.041 0.000 1.131 185 R CA 1.435 57.524 56.100 -0.018 0.000 0.960 185 R CB -0.067 30.220 30.300 -0.021 0.000 0.856 185 R HN 0.066 nan 8.270 nan 0.000 0.436 186 R N 0.581 121.050 120.500 -0.052 0.000 2.092 186 R HA 0.017 4.356 4.340 -0.001 0.000 0.231 186 R C 1.874 178.025 176.300 -0.248 0.000 1.119 186 R CA 1.776 57.776 56.100 -0.168 0.000 0.970 186 R CB -0.686 29.498 30.300 -0.193 0.000 0.864 186 R HN 0.332 nan 8.270 nan 0.000 0.440 187 A N -0.553 122.205 122.820 -0.104 0.000 1.930 187 A HA 0.012 4.331 4.320 -0.001 0.000 0.217 187 A C 2.326 179.885 177.584 -0.043 0.000 1.175 187 A CA 1.553 53.555 52.037 -0.058 0.000 0.627 187 A CB -1.201 17.868 19.000 0.114 0.000 0.815 187 A HN 0.501 nan 8.150 nan 0.000 0.443 188 G N -0.312 108.480 108.800 -0.014 0.000 2.402 188 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.216 188 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.216 188 G C 1.404 176.301 174.900 -0.004 0.000 1.162 188 G CA 0.926 46.033 45.100 0.012 0.000 0.777 188 G HN 0.662 nan 8.290 nan 0.000 0.539 189 E N 0.155 120.321 120.200 -0.056 0.000 2.051 189 E HA -0.061 4.288 4.350 -0.001 0.000 0.192 189 E C 2.483 179.024 176.600 -0.098 0.000 0.991 189 E CA 0.648 57.002 56.400 -0.077 0.000 0.799 189 E CB -0.158 29.470 29.700 -0.121 0.000 0.748 189 E HN 0.460 nan 8.360 nan 0.000 0.449 190 I N 1.158 121.635 120.570 -0.155 0.000 2.179 190 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 190 I C 2.387 178.578 176.117 0.124 0.000 1.088 190 I CA 1.218 62.437 61.300 -0.135 0.000 1.357 190 I CB -0.377 37.521 38.000 -0.170 0.000 1.051 190 I HN 0.105 nan 8.210 nan 0.000 0.409 191 T N 0.702 115.345 114.554 0.148 0.000 2.788 191 T HA -0.122 4.228 4.350 -0.001 0.000 0.268 191 T C 2.044 176.986 174.700 0.403 0.000 1.044 191 T CA 1.331 63.658 62.100 0.378 0.000 1.139 191 T CB -0.279 68.747 68.868 0.264 0.000 0.867 191 T HN 0.471 nan 8.240 nan 0.000 0.454 192 A N 1.598 124.545 122.820 0.211 0.000 1.877 192 A HA -0.036 4.283 4.320 -0.001 0.000 0.216 192 A C 2.347 180.034 177.584 0.172 0.000 1.186 192 A CA 1.447 53.586 52.037 0.169 0.000 0.620 192 A CB -0.690 18.353 19.000 0.072 0.000 0.822 192 A HN 0.435 nan 8.150 nan 0.000 0.443 193 M N -0.555 119.115 119.600 0.116 0.000 2.149 193 M HA -0.183 4.296 4.480 -0.001 0.000 0.261 193 M C 2.498 178.881 176.300 0.137 0.000 1.064 193 M CA 1.404 56.765 55.300 0.101 0.000 1.102 193 M CB -0.456 32.177 32.600 0.055 0.000 1.369 193 M HN 0.520 nan 8.290 nan 0.000 0.408 194 A N -0.528 122.404 122.820 0.186 0.000 1.898 194 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 194 A C 1.870 179.455 177.584 0.003 0.000 1.181 194 A CA 1.369 53.449 52.037 0.071 0.000 0.620 194 A CB -1.050 17.949 19.000 -0.002 0.000 0.819 194 A HN 0.471 nan 8.150 nan 0.000 0.442 195 H N -0.620 118.502 119.070 0.087 0.000 2.389 195 H HA -0.082 4.474 4.556 -0.001 0.000 0.299 195 H C 2.263 177.588 175.328 -0.005 0.000 1.081 195 H CA 1.848 57.940 56.048 0.074 0.000 1.345 195 H CB -0.235 29.600 29.762 0.122 0.000 1.393 195 H HN 0.458 nan 8.280 nan 0.000 0.520 196 T N 0.570 115.191 114.554 0.112 0.000 2.708 196 T HA -0.155 4.195 4.350 -0.001 0.000 0.266 196 T C 2.110 176.788 174.700 -0.036 0.000 1.037 196 T CA 1.276 63.385 62.100 0.015 0.000 1.146 196 T CB -0.042 68.845 68.868 0.031 0.000 0.865 196 T HN 0.366 nan 8.240 nan 0.000 0.435 197 R N 0.903 121.399 120.500 -0.007 0.000 2.096 197 R HA -0.047 4.292 4.340 -0.001 0.000 0.235 197 R C 2.541 178.808 176.300 -0.055 0.000 1.127 197 R CA 1.431 57.517 56.100 -0.024 0.000 0.968 197 R CB -0.437 29.865 30.300 0.002 0.000 0.861 197 R HN 0.364 nan 8.270 nan 0.000 0.440 198 A N 0.933 123.717 122.820 -0.060 0.000 1.902 198 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 198 A C 2.225 179.759 177.584 -0.082 0.000 1.181 198 A CA 1.632 53.650 52.037 -0.031 0.000 0.623 198 A CB -0.432 18.575 19.000 0.010 0.000 0.818 198 A HN 0.379 nan 8.150 nan 0.000 0.443 199 M N -0.876 118.533 119.600 -0.319 0.000 2.175 199 M HA -0.157 4.323 4.480 -0.001 0.000 0.264 199 M C 1.972 178.098 176.300 -0.291 0.000 1.063 199 M CA 1.604 56.502 55.300 -0.670 0.000 1.119 199 M CB -0.434 31.683 32.600 -0.806 0.000 1.377 199 M HN 0.492 nan 8.290 nan 0.000 0.415 200 E N -0.006 120.091 120.200 -0.172 0.000 2.152 200 E HA -0.127 4.222 4.350 -0.001 0.000 0.192 200 E C 1.853 178.413 176.600 -0.066 0.000 0.983 200 E CA 0.687 57.026 56.400 -0.101 0.000 0.818 200 E CB 0.100 29.758 29.700 -0.071 0.000 0.758 200 E HN 0.342 nan 8.360 nan 0.000 0.467 201 K N 0.356 120.724 120.400 -0.053 0.000 2.314 201 K HA 0.050 4.369 4.320 -0.001 0.000 0.198 201 K C 0.913 177.504 176.600 -0.014 0.000 1.045 201 K CA -0.001 56.264 56.287 -0.037 0.000 0.988 201 K CB -0.362 32.115 32.500 -0.038 0.000 0.783 201 K HN 0.097 nan 8.250 nan 0.000 0.484 202 C N 3.081 122.397 119.300 0.027 0.000 2.611 202 C HA 0.106 4.566 4.460 -0.001 0.000 0.416 202 C C 0.116 175.123 174.990 0.029 0.000 1.366 202 C CA 0.053 59.118 59.018 0.078 0.000 1.761 202 C CB -0.713 27.185 27.740 0.265 0.000 2.619 202 C HN 0.279 nan 8.230 nan 0.000 0.606 203 R N 4.809 125.310 120.500 0.001 0.000 2.604 203 R HA 0.409 4.749 4.340 -0.001 0.000 0.270 203 R C -2.894 173.378 176.300 -0.046 0.000 1.052 203 R CA -1.722 54.363 56.100 -0.026 0.000 0.902 203 R CB 1.238 31.514 30.300 -0.041 0.000 1.233 203 R HN 0.421 nan 8.270 nan 0.000 0.455 204 P HA 0.103 nan 4.420 nan 0.000 0.268 204 P C 0.799 178.041 177.300 -0.096 0.000 1.208 204 P CA 1.058 64.110 63.100 -0.079 0.000 0.777 204 P CB 0.574 32.232 31.700 -0.070 0.000 0.875 205 G N 0.636 109.350 108.800 -0.142 0.000 2.284 205 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.230 205 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.230 205 G C 0.282 175.052 174.900 -0.215 0.000 1.021 205 G CA -0.125 44.873 45.100 -0.171 0.000 0.619 205 G HN 0.455 nan 8.290 nan 0.000 0.510 206 M N 0.526 120.044 119.600 -0.136 0.000 2.226 206 M HA 0.552 5.031 4.480 -0.001 0.000 0.324 206 M C 0.237 176.454 176.300 -0.138 0.000 1.112 206 M CA -0.020 55.273 55.300 -0.011 0.000 1.176 206 M CB 0.367 32.976 32.600 0.015 0.000 1.430 206 M HN 0.099 nan 8.290 nan 0.000 0.462 207 F N 0.489 120.444 119.950 0.008 0.000 2.378 207 F HA 0.150 4.676 4.527 -0.001 0.000 0.325 207 F C 1.477 177.022 175.800 -0.424 0.000 1.097 207 F CA -0.165 57.552 58.000 -0.471 0.000 1.079 207 F CB 0.689 38.907 39.000 -1.304 0.000 1.240 207 F HN 0.653 nan 8.300 nan 0.000 0.519 208 E N 0.690 120.832 120.200 -0.096 0.000 2.085 208 E HA -0.289 4.060 4.350 -0.001 0.000 0.194 208 E C 1.719 178.312 176.600 -0.012 0.000 0.994 208 E CA 2.055 58.452 56.400 -0.004 0.000 0.801 208 E CB -0.352 29.427 29.700 0.131 0.000 0.743 208 E HN 0.777 nan 8.360 nan 0.000 0.453 209 Y N -0.865 119.453 120.300 0.029 0.000 2.403 209 Y HA -0.106 4.444 4.550 -0.001 0.000 0.291 209 Y C 1.597 177.464 175.900 -0.055 0.000 1.143 209 Y CA 1.229 59.291 58.100 -0.063 0.000 1.257 209 Y CB -1.042 37.342 38.460 -0.127 0.000 0.984 209 Y HN 0.130 nan 8.280 nan 0.000 0.550 210 H N 0.278 119.310 119.070 -0.063 0.000 2.353 210 H HA -0.057 4.499 4.556 -0.001 0.000 0.300 210 H C 1.977 177.297 175.328 -0.014 0.000 1.090 210 H CA 1.618 57.672 56.048 0.010 0.000 1.327 210 H CB -0.028 29.699 29.762 -0.058 0.000 1.383 210 H HN 0.330 nan 8.280 nan 0.000 0.508 211 L N 0.313 121.590 121.223 0.090 0.000 2.093 211 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 211 L C 2.519 179.344 176.870 -0.075 0.000 1.085 211 L CA 1.123 55.977 54.840 0.023 0.000 0.755 211 L CB -0.346 41.744 42.059 0.053 0.000 0.904 211 L HN 0.416 nan 8.230 nan 0.000 0.435 212 E N 0.688 120.830 120.200 -0.096 0.000 2.085 212 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 212 E C 2.165 178.501 176.600 -0.440 0.000 0.994 212 E CA 1.357 57.574 56.400 -0.304 0.000 0.801 212 E CB -0.141 29.430 29.700 -0.215 0.000 0.743 212 E HN 0.454 nan 8.360 nan 0.000 0.453 213 G N 0.931 109.636 108.800 -0.157 0.000 2.418 213 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.217 213 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.217 213 G C 1.438 176.304 174.900 -0.057 0.000 1.158 213 G CA 0.725 45.786 45.100 -0.065 0.000 0.771 213 G HN 0.205 nan 8.290 nan 0.000 0.545 214 E N 0.575 120.735 120.200 -0.066 0.000 2.051 214 E HA -0.091 4.259 4.350 -0.001 0.000 0.192 214 E C 2.608 179.144 176.600 -0.106 0.000 0.991 214 E CA 0.593 56.954 56.400 -0.064 0.000 0.799 214 E CB -0.317 29.347 29.700 -0.061 0.000 0.748 214 E HN 0.526 nan 8.360 nan 0.000 0.449 215 I N 0.506 120.929 120.570 -0.244 0.000 2.142 215 I HA -0.292 3.877 4.170 -0.001 0.000 0.240 215 I C 2.374 178.137 176.117 -0.590 0.000 1.078 215 I CA 1.365 62.387 61.300 -0.463 0.000 1.343 215 I CB -0.428 37.240 38.000 -0.553 0.000 1.046 215 I HN 0.209 nan 8.210 nan 0.000 0.405 216 H N -1.293 117.519 119.070 -0.430 0.000 2.387 216 H HA -0.212 4.343 4.556 -0.001 0.000 0.299 216 H C 2.257 177.542 175.328 -0.072 0.000 1.090 216 H CA 1.165 57.062 56.048 -0.252 0.000 1.332 216 H CB -0.093 29.641 29.762 -0.046 0.000 1.386 216 H HN 0.399 nan 8.280 nan 0.000 0.516 217 H N 1.094 120.170 119.070 0.010 0.000 2.389 217 H HA -0.125 4.430 4.556 -0.001 0.000 0.299 217 H C 2.078 177.410 175.328 0.007 0.000 1.081 217 H CA 1.609 57.664 56.048 0.012 0.000 1.345 217 H CB 0.332 30.089 29.762 -0.009 0.000 1.393 217 H HN 0.329 nan 8.280 nan 0.000 0.520 218 E N 0.210 120.469 120.200 0.098 0.000 2.072 218 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 218 E C 2.171 178.920 176.600 0.248 0.000 0.985 218 E CA 0.924 57.400 56.400 0.128 0.000 0.801 218 E CB -0.452 29.322 29.700 0.123 0.000 0.750 218 E HN 0.262 nan 8.360 nan 0.000 0.452 219 F N 1.558 121.578 119.950 0.117 0.000 2.065 219 F HA -0.228 4.299 4.527 -0.001 0.000 0.298 219 F C 2.381 178.201 175.800 0.033 0.000 1.112 219 F CA 1.554 59.613 58.000 0.100 0.000 1.212 219 F CB -1.542 37.495 39.000 0.062 0.000 0.975 219 F HN 0.257 nan 8.300 nan 0.000 0.476 220 N N 1.405 120.201 118.700 0.161 0.000 2.069 220 N HA -0.241 4.498 4.740 -0.001 0.000 0.191 220 N C 2.045 177.492 175.510 -0.105 0.000 1.031 220 N CA 1.747 54.782 53.050 -0.024 0.000 0.852 220 N CB -0.237 38.181 38.487 -0.114 0.000 1.018 220 N HN 0.438 nan 8.380 nan 0.000 0.423 221 R N -0.754 119.607 120.500 -0.232 0.000 2.241 221 R HA -0.078 4.261 4.340 -0.001 0.000 0.224 221 R C 0.779 176.896 176.300 -0.305 0.000 1.101 221 R CA 1.243 57.157 56.100 -0.309 0.000 0.995 221 R CB -0.598 29.465 30.300 -0.395 0.000 0.870 221 R HN 0.392 nan 8.270 nan 0.000 0.463 222 H N -0.359 118.722 119.070 0.018 0.000 2.529 222 H HA 0.205 4.760 4.556 -0.001 0.000 0.277 222 H C 0.996 176.364 175.328 0.067 0.000 1.004 222 H CA 0.656 56.719 56.048 0.025 0.000 1.167 222 H CB 1.176 30.939 29.762 0.001 0.000 1.445 222 H HN 0.606 nan 8.280 nan 0.000 0.554 223 G N 0.652 109.537 108.800 0.142 0.000 2.175 223 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.244 223 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.244 223 G C 0.517 175.541 174.900 0.207 0.000 0.982 223 G CA 0.094 45.297 45.100 0.171 0.000 0.641 223 G HN 0.595 nan 8.290 nan 0.000 0.527 224 A N 0.431 123.367 122.820 0.194 0.000 2.736 224 A HA 0.735 5.055 4.320 -0.001 0.000 0.335 224 A C 1.233 178.820 177.584 0.006 0.000 1.446 224 A CA 0.634 52.758 52.037 0.145 0.000 1.028 224 A CB 0.045 19.098 19.000 0.089 0.000 1.154 224 A HN 0.392 nan 8.150 nan 0.000 0.507 225 R N 0.600 121.021 120.500 -0.132 0.000 2.091 225 R HA -0.117 4.223 4.340 -0.001 0.000 0.238 225 R C -0.488 175.498 176.300 -0.524 0.000 1.136 225 R CA 1.663 57.515 56.100 -0.414 0.000 0.959 225 R CB -0.068 29.804 30.300 -0.714 0.000 0.856 225 R HN 0.709 nan 8.270 nan 0.000 0.437 226 Y N -1.227 119.054 120.300 -0.031 0.000 2.524 226 Y HA 0.425 4.975 4.550 -0.001 0.000 0.344 226 Y C -2.180 173.641 175.900 -0.131 0.000 1.012 226 Y CA -3.616 54.436 58.100 -0.080 0.000 1.068 226 Y CB 1.120 39.522 38.460 -0.097 0.000 1.249 226 Y HN -0.087 nan 8.280 nan 0.000 0.468 227 P HA 0.128 nan 4.420 nan 0.000 0.276 227 P C 0.213 177.438 177.300 -0.125 0.000 1.244 227 P CA -0.257 62.781 63.100 -0.103 0.000 0.801 227 P CB 0.884 32.530 31.700 -0.090 0.000 1.006 228 S N -0.085 115.512 115.700 -0.172 0.000 2.558 228 S HA 0.125 4.595 4.470 -0.001 0.000 0.217 228 S C 0.046 174.718 174.600 0.119 0.000 0.975 228 S CA 0.278 58.472 58.200 -0.009 0.000 0.912 228 S CB -0.952 62.312 63.200 0.106 0.000 0.776 228 S HN 0.576 nan 8.310 nan 0.000 0.526 229 Y N -1.849 118.435 120.300 -0.025 0.000 2.741 229 Y HA 0.523 5.073 4.550 -0.001 0.000 0.339 229 Y C -1.462 174.445 175.900 0.011 0.000 1.226 229 Y CA -1.812 56.260 58.100 -0.047 0.000 1.072 229 Y CB -0.238 38.172 38.460 -0.084 0.000 1.331 229 Y HN -0.226 nan 8.280 nan 0.000 0.453 230 N N 1.666 120.430 118.700 0.106 0.000 2.452 230 N HA 0.104 4.844 4.740 -0.001 0.000 0.266 230 N C -0.507 175.056 175.510 0.089 0.000 1.209 230 N CA 0.260 53.341 53.050 0.051 0.000 0.929 230 N CB 0.948 39.445 38.487 0.017 0.000 1.063 230 N HN 0.706 nan 8.380 nan 0.000 0.472 231 T N 2.887 117.491 114.554 0.083 0.000 2.908 231 T HA 0.122 4.471 4.350 -0.001 0.000 0.301 231 T C 0.916 175.681 174.700 0.109 0.000 1.019 231 T CA 0.235 62.403 62.100 0.114 0.000 1.152 231 T CB 0.205 69.173 68.868 0.167 0.000 0.966 231 T HN 0.254 nan 8.240 nan 0.000 0.540 232 I N 3.345 124.016 120.570 0.167 0.000 2.378 232 I HA 0.392 4.561 4.170 -0.001 0.000 0.291 232 I C -0.494 175.740 176.117 0.194 0.000 0.992 232 I CA -0.791 60.612 61.300 0.171 0.000 1.154 232 I CB 1.746 39.869 38.000 0.205 0.000 1.315 232 I HN 0.277 nan 8.210 nan 0.000 0.448 233 V N 5.609 125.655 119.914 0.220 0.000 2.443 233 V HA 0.450 4.569 4.120 -0.001 0.000 0.272 233 V C 0.266 176.538 176.094 0.296 0.000 1.002 233 V CA -0.489 61.927 62.300 0.193 0.000 0.840 233 V CB 1.354 33.252 31.823 0.124 0.000 1.042 233 V HN 0.891 nan 8.190 nan 0.000 0.446 234 G N 2.480 111.392 108.800 0.187 0.000 2.588 234 G HA2 0.579 4.538 3.960 -0.001 0.000 0.312 234 G HA3 0.579 4.538 3.960 -0.001 0.000 0.312 234 G C -0.028 174.805 174.900 -0.112 0.000 1.257 234 G CA -0.248 44.829 45.100 -0.037 0.000 0.994 234 G HN 0.698 nan 8.290 nan 0.000 0.498 235 S N 1.972 117.588 115.700 -0.140 0.000 2.617 235 S HA 0.847 5.317 4.470 -0.001 0.000 0.283 235 S C 1.133 175.651 174.600 -0.136 0.000 1.189 235 S CA 0.245 58.364 58.200 -0.137 0.000 1.036 235 S CB 1.626 64.750 63.200 -0.127 0.000 1.014 235 S HN 2.188 nan 8.310 nan 0.000 0.522 236 G N 2.053 110.792 108.800 -0.101 0.000 2.611 236 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.301 236 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.301 236 G C 0.521 175.383 174.900 -0.063 0.000 1.233 236 G CA 0.562 45.618 45.100 -0.072 0.000 0.993 236 G HN 0.836 nan 8.290 nan 0.000 0.553 237 E N 1.141 121.303 120.200 -0.062 0.000 2.333 237 E HA -0.079 4.271 4.350 -0.001 0.000 0.198 237 E C 2.246 178.782 176.600 -0.107 0.000 1.007 237 E CA 0.744 57.116 56.400 -0.047 0.000 0.845 237 E CB -0.137 29.547 29.700 -0.027 0.000 0.766 237 E HN 0.418 nan 8.360 nan 0.000 0.507 238 N N 0.345 118.897 118.700 -0.246 0.000 2.381 238 N HA -0.088 4.652 4.740 -0.001 0.000 0.182 238 N C 1.780 177.087 175.510 -0.338 0.000 1.025 238 N CA 0.986 53.713 53.050 -0.538 0.000 0.888 238 N CB -0.301 37.481 38.487 -1.174 0.000 0.965 238 N HN 0.197 nan 8.380 nan 0.000 0.438 239 G N -0.133 108.585 108.800 -0.138 0.000 2.509 239 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.218 239 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.218 239 G C 1.407 176.405 174.900 0.163 0.000 1.124 239 G CA 0.381 45.500 45.100 0.032 0.000 0.776 239 G HN 0.348 nan 8.290 nan 0.000 0.547 240 C N 0.458 119.827 119.300 0.114 0.000 2.576 240 C HA 0.405 4.865 4.460 -0.001 0.000 0.267 240 C C 0.937 175.951 174.990 0.041 0.000 1.364 240 C CA -0.784 58.337 59.018 0.171 0.000 1.723 240 C CB -1.053 26.775 27.740 0.147 0.000 1.778 240 C HN 0.275 nan 8.230 nan 0.000 0.572 241 I N 1.342 121.926 120.570 0.025 0.000 2.328 241 I HA 0.139 4.309 4.170 -0.001 0.000 0.287 241 I C 0.938 177.090 176.117 0.059 0.000 1.012 241 I CA -0.233 61.094 61.300 0.044 0.000 1.195 241 I CB 1.109 39.183 38.000 0.123 0.000 1.350 241 I HN 0.193 nan 8.210 nan 0.000 0.464 242 L N 4.961 126.165 121.223 -0.031 0.000 2.042 242 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 242 L C 1.639 178.568 176.870 0.099 0.000 1.076 242 L CA 1.284 56.106 54.840 -0.031 0.000 0.749 242 L CB -0.446 41.549 42.059 -0.107 0.000 0.893 242 L HN 0.660 nan 8.230 nan 0.000 0.432 243 H N -0.669 118.430 119.070 0.048 0.000 2.483 243 H HA 0.084 4.639 4.556 -0.001 0.000 0.224 243 H C -1.257 174.144 175.328 0.122 0.000 1.690 243 H CA -0.531 55.558 56.048 0.069 0.000 1.217 243 H CB -0.166 29.614 29.762 0.031 0.000 1.619 243 H HN 0.120 nan 8.280 nan 0.000 0.528 244 Y N 2.756 123.085 120.300 0.048 0.000 2.504 244 Y HA 0.173 4.723 4.550 -0.001 0.000 0.339 244 Y C 0.625 176.537 175.900 0.019 0.000 0.974 244 Y CA -0.308 57.831 58.100 0.066 0.000 1.232 244 Y CB 0.734 39.235 38.460 0.068 0.000 1.108 244 Y HN 0.312 nan 8.280 nan 0.000 0.509 245 T N -0.416 113.898 114.554 -0.400 0.000 3.040 245 T HA 0.163 4.513 4.350 -0.001 0.000 0.266 245 T C 0.907 175.378 174.700 -0.382 0.000 1.005 245 T CA 0.012 61.922 62.100 -0.317 0.000 0.906 245 T CB 0.153 68.904 68.868 -0.195 0.000 1.082 245 T HN 0.448 nan 8.240 nan 0.000 0.531 246 E N 2.470 122.262 120.200 -0.680 0.000 2.077 246 E HA 0.001 4.351 4.350 -0.001 0.000 0.193 246 E C 0.600 177.045 176.600 -0.258 0.000 0.989 246 E CA 0.579 56.730 56.400 -0.414 0.000 0.800 246 E CB -0.387 29.104 29.700 -0.349 0.000 0.746 246 E HN 0.440 nan 8.360 nan 0.000 0.452 247 N N 1.141 119.619 118.700 -0.370 0.000 2.702 247 N HA -0.242 4.497 4.740 -0.001 0.000 0.255 247 N C -0.027 175.627 175.510 0.241 0.000 0.983 247 N CA 1.292 54.407 53.050 0.109 0.000 0.768 247 N CB -1.411 37.130 38.487 0.090 0.000 0.918 247 N HN 0.669 nan 8.380 nan 0.000 0.540 248 E N -2.559 117.803 120.200 0.269 0.000 2.460 248 E HA 0.130 4.480 4.350 -0.001 0.000 0.200 248 E C 0.077 176.920 176.600 0.406 0.000 1.011 248 E CA -0.140 56.450 56.400 0.317 0.000 0.912 248 E CB 0.206 30.022 29.700 0.195 0.000 0.953 248 E HN 0.282 nan 8.360 nan 0.000 0.494 249 C N 2.084 121.588 119.300 0.340 0.000 2.459 249 C HA 0.247 4.706 4.460 -0.001 0.000 0.374 249 C C 0.480 175.498 174.990 0.047 0.000 1.241 249 C CA -0.614 58.542 59.018 0.231 0.000 2.352 249 C CB 0.557 28.371 27.740 0.124 0.000 2.490 249 C HN 0.442 nan 8.230 nan 0.000 0.583 250 E N 1.771 121.836 120.200 -0.225 0.000 2.316 250 E HA 0.199 4.548 4.350 -0.001 0.000 0.275 250 E C -0.632 175.775 176.600 -0.321 0.000 1.029 250 E CA -0.159 55.840 56.400 -0.669 0.000 0.871 250 E CB 0.490 29.772 29.700 -0.696 0.000 1.022 250 E HN 0.550 nan 8.360 nan 0.000 0.418 251 M N 4.770 124.194 119.600 -0.293 0.000 2.194 251 M HA 0.205 4.684 4.480 -0.001 0.000 0.347 251 M C -0.037 176.167 176.300 -0.160 0.000 1.439 251 M CA -0.181 55.012 55.300 -0.179 0.000 1.131 251 M CB 0.558 33.072 32.600 -0.143 0.000 1.733 251 M HN 0.182 nan 8.290 nan 0.000 0.467 252 R N 1.628 122.052 120.500 -0.127 0.000 2.457 252 R HA 0.224 4.563 4.340 -0.001 0.000 0.284 252 R C -0.397 175.849 176.300 -0.088 0.000 1.024 252 R CA -0.719 55.319 56.100 -0.103 0.000 1.025 252 R CB 0.438 30.688 30.300 -0.084 0.000 1.063 252 R HN 0.569 nan 8.270 nan 0.000 0.493 253 D N 0.503 120.857 120.400 -0.076 0.000 2.450 253 D HA 0.105 4.744 4.640 -0.001 0.000 0.247 253 D C 1.043 177.307 176.300 -0.060 0.000 1.162 253 D CA 1.663 55.624 54.000 -0.065 0.000 0.879 253 D CB 0.587 41.354 40.800 -0.054 0.000 1.163 253 D HN 0.711 nan 8.370 nan 0.000 0.472 254 G N 3.586 112.348 108.800 -0.063 0.000 2.213 254 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.226 254 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.226 254 G C 0.109 174.974 174.900 -0.058 0.000 0.992 254 G CA 0.047 45.115 45.100 -0.054 0.000 0.632 254 G HN 0.587 nan 8.290 nan 0.000 0.511 255 D N 0.214 120.569 120.400 -0.075 0.000 2.277 255 D HA 0.683 5.323 4.640 -0.001 0.000 0.250 255 D C 0.774 177.003 176.300 -0.117 0.000 1.032 255 D CA -0.306 53.647 54.000 -0.080 0.000 0.947 255 D CB 1.395 42.144 40.800 -0.085 0.000 1.159 255 D HN 0.238 nan 8.370 nan 0.000 0.460 256 L N 0.499 121.658 121.223 -0.107 0.000 2.375 256 L HA 0.542 4.881 4.340 -0.001 0.000 0.268 256 L C -0.132 176.611 176.870 -0.212 0.000 1.058 256 L CA -0.960 53.784 54.840 -0.159 0.000 0.803 256 L CB 1.690 43.719 42.059 -0.050 0.000 1.212 256 L HN -0.006 nan 8.230 nan 0.000 0.451 257 V N 3.792 123.476 119.914 -0.383 0.000 2.531 257 V HA 0.447 4.566 4.120 -0.001 0.000 0.301 257 V C -0.871 175.000 176.094 -0.372 0.000 1.034 257 V CA -0.538 61.525 62.300 -0.395 0.000 0.865 257 V CB 1.957 33.467 31.823 -0.522 0.000 0.995 257 V HN 0.566 nan 8.190 nan 0.000 0.424 258 L N 7.759 128.914 121.223 -0.114 0.000 2.272 258 L HA 0.665 5.005 4.340 -0.001 0.000 0.289 258 L C -0.972 175.966 176.870 0.115 0.000 1.032 258 L CA -0.375 54.492 54.840 0.045 0.000 0.810 258 L CB 1.098 43.239 42.059 0.135 0.000 1.205 258 L HN 0.647 nan 8.230 nan 0.000 0.422 259 I N 4.817 125.517 120.570 0.215 0.000 2.410 259 I HA 0.305 4.475 4.170 -0.001 0.000 0.286 259 I C -1.054 175.320 176.117 0.429 0.000 1.009 259 I CA -0.461 61.012 61.300 0.289 0.000 1.111 259 I CB 1.701 39.885 38.000 0.307 0.000 1.262 259 I HN 0.510 nan 8.210 nan 0.000 0.443 260 D N 6.543 127.171 120.400 0.380 0.000 2.440 260 D HA 0.718 5.358 4.640 -0.001 0.000 0.239 260 D C -1.096 175.517 176.300 0.523 0.000 1.084 260 D CA -0.101 54.176 54.000 0.463 0.000 0.843 260 D CB 1.811 42.833 40.800 0.369 0.000 1.097 260 D HN 0.664 nan 8.370 nan 0.000 0.531 261 A N 2.154 125.340 122.820 0.610 0.000 2.574 261 A HA 0.833 5.152 4.320 -0.001 0.000 0.297 261 A C -0.561 177.332 177.584 0.516 0.000 1.062 261 A CA -0.428 51.830 52.037 0.367 0.000 0.686 261 A CB 1.893 21.013 19.000 0.200 0.000 1.285 261 A HN 0.514 nan 8.150 nan 0.000 0.403 262 G N -0.455 108.398 108.800 0.087 0.000 2.733 262 G HA2 0.627 4.586 3.960 -0.001 0.000 0.297 262 G HA3 0.627 4.586 3.960 -0.001 0.000 0.297 262 G C -0.226 174.431 174.900 -0.405 0.000 1.422 262 G CA 0.132 45.303 45.100 0.117 0.000 0.942 262 G HN 1.970 nan 8.290 nan 0.000 0.510 263 C N 0.126 118.918 119.300 -0.846 0.000 2.347 263 C HA 0.884 5.343 4.460 -0.001 0.000 0.366 263 C C 0.157 174.929 174.990 -0.364 0.000 1.241 263 C CA -0.856 57.480 59.018 -1.136 0.000 2.360 263 C CB 1.331 28.271 27.740 -1.332 0.000 2.290 263 C HN 0.833 nan 8.230 nan 0.000 0.587 264 E N 0.301 120.366 120.200 -0.225 0.000 2.182 264 E HA 0.402 4.752 4.350 -0.001 0.000 0.258 264 E C -2.015 174.615 176.600 0.049 0.000 0.879 264 E CA -0.345 56.026 56.400 -0.050 0.000 0.754 264 E CB 0.887 30.554 29.700 -0.054 0.000 1.162 264 E HN 0.732 nan 8.360 nan 0.000 0.419 265 Y N 5.155 125.446 120.300 -0.014 0.000 2.328 265 Y HA 0.255 4.805 4.550 -0.001 0.000 0.333 265 Y C -0.441 175.551 175.900 0.153 0.000 0.958 265 Y CA -1.017 57.109 58.100 0.044 0.000 1.167 265 Y CB 0.816 39.299 38.460 0.038 0.000 1.151 265 Y HN 0.501 nan 8.280 nan 0.000 0.470 266 K N 4.511 124.744 120.400 -0.278 0.000 3.035 266 K HA -0.232 4.088 4.320 -0.001 0.000 0.262 266 K C 0.968 177.659 176.600 0.152 0.000 1.024 266 K CA 1.119 57.374 56.287 -0.053 0.000 0.748 266 K CB -1.826 30.599 32.500 -0.126 0.000 1.247 266 K HN 1.408 nan 8.250 nan 0.000 0.482 267 G N -1.615 107.095 108.800 -0.150 0.000 2.268 267 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.240 267 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.240 267 G C 0.069 174.774 174.900 -0.325 0.000 1.010 267 G CA 0.423 45.258 45.100 -0.441 0.000 0.618 267 G HN 0.285 nan 8.290 nan 0.000 0.516 268 Y N 1.530 121.846 120.300 0.027 0.000 2.301 268 Y HA 0.647 5.196 4.550 -0.001 0.000 0.325 268 Y C 0.798 176.736 175.900 0.063 0.000 1.203 268 Y CA -0.076 58.067 58.100 0.072 0.000 1.255 268 Y CB 1.414 39.946 38.460 0.121 0.000 1.232 268 Y HN 0.480 nan 8.280 nan 0.000 0.501 269 A N 1.395 124.339 122.820 0.206 0.000 2.312 269 A HA 0.748 5.068 4.320 -0.001 0.000 0.326 269 A C 0.205 177.896 177.584 0.178 0.000 1.172 269 A CA -0.146 51.986 52.037 0.159 0.000 0.821 269 A CB 0.331 19.424 19.000 0.155 0.000 1.166 269 A HN 0.870 nan 8.150 nan 0.000 0.493 270 G N -0.010 108.874 108.800 0.141 0.000 2.417 270 G HA2 0.532 4.492 3.960 -0.001 0.000 0.334 270 G HA3 0.532 4.492 3.960 -0.001 0.000 0.334 270 G C -1.391 173.672 174.900 0.272 0.000 1.150 270 G CA -0.200 44.989 45.100 0.148 0.000 0.923 270 G HN 0.651 nan 8.290 nan 0.000 0.485 271 D N 0.749 121.312 120.400 0.272 0.000 2.337 271 D HA 0.291 4.930 4.640 -0.001 0.000 0.238 271 D C -0.691 175.756 176.300 0.246 0.000 1.331 271 D CA -0.331 53.887 54.000 0.362 0.000 0.967 271 D CB 0.344 41.305 40.800 0.269 0.000 1.382 271 D HN 0.253 nan 8.370 nan 0.000 0.549 272 I N 1.677 122.413 120.570 0.277 0.000 2.530 272 I HA 0.469 4.639 4.170 -0.001 0.000 0.297 272 I C -0.117 176.038 176.117 0.063 0.000 1.011 272 I CA -0.590 60.737 61.300 0.045 0.000 1.107 272 I CB 2.455 40.302 38.000 -0.254 0.000 1.285 272 I HN 0.132 nan 8.210 nan 0.000 0.436 273 T N 5.278 119.852 114.554 0.032 0.000 2.848 273 T HA 0.574 4.923 4.350 -0.001 0.000 0.285 273 T C -0.621 174.158 174.700 0.131 0.000 0.995 273 T CA -0.814 61.385 62.100 0.164 0.000 0.970 273 T CB 1.562 70.554 68.868 0.207 0.000 0.976 273 T HN 0.338 nan 8.240 nan 0.000 0.441 274 R N 1.642 122.305 120.500 0.271 0.000 2.604 274 R HA 0.644 4.983 4.340 -0.001 0.000 0.281 274 R C -1.094 175.477 176.300 0.452 0.000 1.020 274 R CA -0.678 55.636 56.100 0.357 0.000 0.899 274 R CB 2.192 32.725 30.300 0.389 0.000 1.205 274 R HN 0.635 nan 8.270 nan 0.000 0.450 275 T N 3.689 118.526 114.554 0.471 0.000 2.841 275 T HA 0.754 5.103 4.350 -0.001 0.000 0.283 275 T C -0.688 174.275 174.700 0.438 0.000 1.000 275 T CA -0.518 61.789 62.100 0.345 0.000 0.977 275 T CB 0.771 69.840 68.868 0.334 0.000 0.979 275 T HN 0.445 nan 8.240 nan 0.000 0.446 276 F N 0.665 120.654 119.950 0.064 0.000 2.686 276 F HA 0.749 5.275 4.527 -0.001 0.000 0.311 276 F C -3.138 172.461 175.800 -0.334 0.000 1.128 276 F CA -2.975 54.906 58.000 -0.198 0.000 0.946 276 F CB 0.596 39.515 39.000 -0.136 0.000 1.336 276 F HN 0.192 nan 8.300 nan 0.000 0.457 277 P HA 0.112 nan 4.420 nan 0.000 0.276 277 P C 0.662 177.880 177.300 -0.137 0.000 1.243 277 P CA -0.101 62.771 63.100 -0.380 0.000 0.768 277 P CB 1.947 33.313 31.700 -0.558 0.000 0.856 278 V N 3.324 123.144 119.914 -0.158 0.000 2.380 278 V HA -0.273 3.846 4.120 -0.001 0.000 0.251 278 V C 1.991 178.063 176.094 -0.037 0.000 1.063 278 V CA 2.609 64.860 62.300 -0.082 0.000 1.055 278 V CB -1.453 30.303 31.823 -0.112 0.000 0.657 278 V HN 0.656 nan 8.190 nan 0.000 0.455 279 N N 0.298 118.956 118.700 -0.069 0.000 2.314 279 N HA 0.206 4.946 4.740 -0.001 0.000 0.200 279 N C 1.246 176.722 175.510 -0.057 0.000 1.135 279 N CA 0.776 53.792 53.050 -0.056 0.000 0.835 279 N CB 0.284 38.736 38.487 -0.059 0.000 0.989 279 N HN 0.429 nan 8.380 nan 0.000 0.478 280 G N -0.556 108.204 108.800 -0.067 0.000 2.162 280 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.260 280 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.260 280 G C -0.116 174.723 174.900 -0.103 0.000 0.976 280 G CA 0.635 45.689 45.100 -0.077 0.000 0.655 280 G HN 0.668 nan 8.290 nan 0.000 0.533 281 K N -0.126 120.197 120.400 -0.129 0.000 2.601 281 K HA 0.654 4.974 4.320 -0.001 0.000 0.249 281 K C -0.338 176.211 176.600 -0.085 0.000 0.966 281 K CA -1.127 55.117 56.287 -0.072 0.000 0.827 281 K CB 0.300 32.788 32.500 -0.021 0.000 1.178 281 K HN -0.028 nan 8.250 nan 0.000 0.437 282 F N 2.652 122.579 119.950 -0.038 0.000 2.538 282 F HA 0.110 4.636 4.527 -0.001 0.000 0.371 282 F C 1.540 177.324 175.800 -0.025 0.000 1.087 282 F CA 0.529 58.502 58.000 -0.044 0.000 1.250 282 F CB 0.664 39.617 39.000 -0.079 0.000 1.110 282 F HN 0.582 nan 8.300 nan 0.000 0.570 283 T N -0.128 114.525 114.554 0.166 0.000 2.732 283 T HA 0.091 4.440 4.350 -0.001 0.000 0.287 283 T C 1.035 175.799 174.700 0.107 0.000 0.993 283 T CA -0.541 61.614 62.100 0.092 0.000 0.966 283 T CB 0.936 69.833 68.868 0.048 0.000 1.047 283 T HN 0.740 nan 8.240 nan 0.000 0.527 284 Q N 0.107 119.941 119.800 0.058 0.000 2.020 284 Q HA -0.105 4.234 4.340 -0.001 0.000 0.202 284 Q C 2.539 178.585 176.000 0.077 0.000 0.982 284 Q CA 1.570 57.404 55.803 0.051 0.000 0.838 284 Q CB -0.820 27.930 28.738 0.021 0.000 0.899 284 Q HN 0.897 nan 8.270 nan 0.000 0.423 285 A N 0.816 123.667 122.820 0.052 0.000 1.892 285 A HA -0.297 4.022 4.320 -0.001 0.000 0.218 285 A C 1.952 179.666 177.584 0.218 0.000 1.188 285 A CA 1.989 54.089 52.037 0.105 0.000 0.631 285 A CB -0.739 18.204 19.000 -0.096 0.000 0.822 285 A HN 0.570 nan 8.150 nan 0.000 0.447 286 Q N -1.452 118.455 119.800 0.179 0.000 2.084 286 Q HA -0.207 4.132 4.340 -0.001 0.000 0.202 286 Q C 2.333 178.458 176.000 0.208 0.000 0.978 286 Q CA 1.604 57.550 55.803 0.238 0.000 0.844 286 Q CB -0.210 28.709 28.738 0.301 0.000 0.898 286 Q HN 0.553 nan 8.270 nan 0.000 0.426 287 R N 1.491 122.064 120.500 0.121 0.000 2.115 287 R HA -0.129 4.211 4.340 -0.001 0.000 0.230 287 R C 1.531 177.824 176.300 -0.012 0.000 1.111 287 R CA 1.614 57.666 56.100 -0.080 0.000 0.976 287 R CB -0.097 30.157 30.300 -0.077 0.000 0.870 287 R HN 0.337 nan 8.270 nan 0.000 0.445 288 E N -0.231 120.003 120.200 0.057 0.000 2.072 288 E HA -0.124 4.225 4.350 -0.001 0.000 0.191 288 E C 1.756 178.340 176.600 -0.026 0.000 0.985 288 E CA 1.101 57.522 56.400 0.035 0.000 0.801 288 E CB -0.065 29.709 29.700 0.123 0.000 0.750 288 E HN 0.251 nan 8.360 nan 0.000 0.452 289 I N 0.358 120.930 120.570 0.002 0.000 2.286 289 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 289 I C 2.279 178.357 176.117 -0.066 0.000 1.104 289 I CA 1.194 62.447 61.300 -0.077 0.000 1.397 289 I CB -1.058 36.922 38.000 -0.033 0.000 1.072 289 I HN 0.142 nan 8.210 nan 0.000 0.417 290 Y N 2.436 122.667 120.300 -0.115 0.000 2.128 290 Y HA -0.292 4.257 4.550 -0.001 0.000 0.284 290 Y C 2.367 178.164 175.900 -0.172 0.000 1.154 290 Y CA 1.911 59.920 58.100 -0.150 0.000 1.149 290 Y CB -0.177 38.109 38.460 -0.290 0.000 0.976 290 Y HN 0.220 nan 8.280 nan 0.000 0.505 291 D N 0.119 120.490 120.400 -0.049 0.000 2.149 291 D HA -0.208 4.431 4.640 -0.001 0.000 0.198 291 D C 2.268 178.466 176.300 -0.169 0.000 0.990 291 D CA 1.800 55.743 54.000 -0.096 0.000 0.839 291 D CB -0.266 40.496 40.800 -0.062 0.000 0.948 291 D HN 0.466 nan 8.370 nan 0.000 0.460 292 I N 0.523 120.983 120.570 -0.183 0.000 2.252 292 I HA -0.215 3.954 4.170 -0.001 0.000 0.245 292 I C 2.450 178.412 176.117 -0.258 0.000 1.102 292 I CA 0.613 61.791 61.300 -0.204 0.000 1.385 292 I CB -0.218 37.656 38.000 -0.209 0.000 1.064 292 I HN -0.114 nan 8.210 nan 0.000 0.414 293 V N 0.770 120.492 119.914 -0.320 0.000 2.358 293 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 293 V C 2.395 178.275 176.094 -0.357 0.000 1.047 293 V CA 1.496 63.575 62.300 -0.367 0.000 1.035 293 V CB -0.558 31.018 31.823 -0.412 0.000 0.658 293 V HN 0.353 nan 8.190 nan 0.000 0.452 294 L N 0.307 121.276 121.223 -0.423 0.000 2.046 294 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 294 L C 2.381 179.139 176.870 -0.186 0.000 1.077 294 L CA 2.125 56.775 54.840 -0.316 0.000 0.747 294 L CB -0.694 41.195 42.059 -0.284 0.000 0.896 294 L HN 0.411 nan 8.230 nan 0.000 0.432 295 E N -1.009 119.086 120.200 -0.175 0.000 2.051 295 E HA -0.200 4.149 4.350 -0.001 0.000 0.192 295 E C 2.105 178.620 176.600 -0.141 0.000 0.991 295 E CA 1.346 57.666 56.400 -0.133 0.000 0.799 295 E CB -0.020 29.605 29.700 -0.126 0.000 0.748 295 E HN 0.582 nan 8.360 nan 0.000 0.449 296 S N 0.905 116.496 115.700 -0.182 0.000 2.365 296 S HA -0.220 4.250 4.470 -0.001 0.000 0.225 296 S C 1.857 176.369 174.600 -0.147 0.000 1.039 296 S CA 1.330 59.415 58.200 -0.192 0.000 1.033 296 S CB -0.395 62.642 63.200 -0.273 0.000 0.887 296 S HN 0.264 nan 8.310 nan 0.000 0.447 297 L N 1.904 123.045 121.223 -0.137 0.000 2.027 297 L HA -0.054 4.286 4.340 -0.001 0.000 0.206 297 L C 2.087 178.928 176.870 -0.048 0.000 1.074 297 L CA 1.819 56.612 54.840 -0.077 0.000 0.745 297 L CB -0.878 41.135 42.059 -0.077 0.000 0.898 297 L HN 0.261 nan 8.230 nan 0.000 0.433 298 E N -1.090 119.072 120.200 -0.062 0.000 2.085 298 E HA -0.201 4.148 4.350 -0.001 0.000 0.194 298 E C 1.907 178.481 176.600 -0.043 0.000 0.994 298 E CA 1.793 58.169 56.400 -0.040 0.000 0.801 298 E CB -0.255 29.419 29.700 -0.044 0.000 0.743 298 E HN 0.561 nan 8.360 nan 0.000 0.453 299 T N 0.536 115.049 114.554 -0.068 0.000 2.737 299 T HA -0.108 4.241 4.350 -0.001 0.000 0.265 299 T C 2.172 176.817 174.700 -0.092 0.000 1.038 299 T CA 1.245 63.298 62.100 -0.079 0.000 1.144 299 T CB -0.199 68.610 68.868 -0.099 0.000 0.866 299 T HN 0.043 nan 8.240 nan 0.000 0.434 300 S N 1.630 117.268 115.700 -0.104 0.000 2.374 300 S HA -0.032 4.438 4.470 -0.001 0.000 0.227 300 S C 2.025 176.611 174.600 -0.023 0.000 1.037 300 S CA 0.987 59.098 58.200 -0.148 0.000 1.024 300 S CB -0.582 62.582 63.200 -0.060 0.000 0.861 300 S HN 0.357 nan 8.310 nan 0.000 0.456 301 L N 0.654 121.908 121.223 0.052 0.000 2.191 301 L HA -0.100 4.239 4.340 -0.001 0.000 0.212 301 L C 2.638 179.546 176.870 0.065 0.000 1.103 301 L CA 1.126 56.025 54.840 0.099 0.000 0.769 301 L CB -0.362 41.731 42.059 0.058 0.000 0.908 301 L HN 0.243 nan 8.230 nan 0.000 0.438 302 R N -0.504 120.002 120.500 0.011 0.000 2.100 302 R HA 0.016 4.355 4.340 -0.001 0.000 0.220 302 R C 2.253 178.549 176.300 -0.008 0.000 1.091 302 R CA 0.701 56.803 56.100 0.002 0.000 0.986 302 R CB -0.098 30.191 30.300 -0.017 0.000 0.888 302 R HN 0.297 nan 8.270 nan 0.000 0.444 303 L N -0.209 120.976 121.223 -0.063 0.000 2.044 303 L HA -0.084 4.256 4.340 -0.001 0.000 0.205 303 L C 0.428 177.264 176.870 -0.058 0.000 1.075 303 L CA 0.550 55.327 54.840 -0.106 0.000 0.747 303 L CB -0.398 41.530 42.059 -0.219 0.000 0.903 303 L HN 0.072 nan 8.230 nan 0.000 0.435 304 Y N 2.251 122.555 120.300 0.007 0.000 2.802 304 Y HA 0.007 4.556 4.550 -0.001 0.000 0.333 304 Y C 0.780 176.695 175.900 0.025 0.000 1.244 304 Y CA 0.317 58.429 58.100 0.019 0.000 1.558 304 Y CB -0.270 38.202 38.460 0.019 0.000 1.233 304 Y HN 0.250 nan 8.280 nan 0.000 0.547 305 R N 2.720 123.360 120.500 0.234 0.000 2.752 305 R HA 0.523 4.862 4.340 -0.001 0.000 0.277 305 R C -3.575 172.805 176.300 0.133 0.000 1.024 305 R CA -2.252 53.933 56.100 0.142 0.000 0.866 305 R CB 0.859 31.214 30.300 0.092 0.000 1.278 305 R HN 0.146 nan 8.270 nan 0.000 0.473 306 P HA 0.124 nan 4.420 nan 0.000 0.268 306 P C 0.441 177.797 177.300 0.093 0.000 1.205 306 P CA 1.734 64.894 63.100 0.101 0.000 0.771 306 P CB 0.824 32.575 31.700 0.084 0.000 0.858 307 G N 0.632 109.491 108.800 0.099 0.000 2.254 307 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.225 307 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.225 307 G C 0.544 175.493 174.900 0.083 0.000 1.003 307 G CA 0.383 45.532 45.100 0.082 0.000 0.622 307 G HN 0.777 nan 8.290 nan 0.000 0.507 308 T N -0.099 114.515 114.554 0.100 0.000 2.892 308 T HA 0.772 5.121 4.350 -0.001 0.000 0.280 308 T C 0.393 175.176 174.700 0.138 0.000 1.004 308 T CA 1.069 63.223 62.100 0.091 0.000 0.950 308 T CB 1.397 70.299 68.868 0.057 0.000 1.309 308 T HN 1.591 nan 8.240 nan 0.000 0.592 309 S N -0.721 115.058 115.700 0.131 0.000 2.638 309 S HA 0.470 4.940 4.470 -0.001 0.000 0.274 309 S C 1.091 175.810 174.600 0.198 0.000 1.157 309 S CA -0.848 57.458 58.200 0.177 0.000 0.826 309 S CB 0.536 63.815 63.200 0.132 0.000 1.139 309 S HN 0.605 nan 8.310 nan 0.000 0.474 310 I N 0.636 121.342 120.570 0.226 0.000 2.264 310 I HA -0.139 4.030 4.170 -0.001 0.000 0.248 310 I C 2.371 178.544 176.117 0.093 0.000 1.111 310 I CA 1.198 62.629 61.300 0.219 0.000 1.382 310 I CB -0.356 37.691 38.000 0.079 0.000 1.060 310 I HN 0.644 nan 8.210 nan 0.000 0.418 311 L N 1.019 122.279 121.223 0.061 0.000 2.017 311 L HA -0.233 4.107 4.340 -0.001 0.000 0.208 311 L C 2.415 179.290 176.870 0.008 0.000 1.073 311 L CA 1.985 56.841 54.840 0.028 0.000 0.745 311 L CB -0.693 41.384 42.059 0.031 0.000 0.894 311 L HN 0.246 nan 8.230 nan 0.000 0.432 312 E N -0.955 119.251 120.200 0.009 0.000 2.031 312 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 312 E C 2.051 178.607 176.600 -0.073 0.000 0.994 312 E CA 1.859 58.246 56.400 -0.022 0.000 0.800 312 E CB -0.103 29.591 29.700 -0.010 0.000 0.752 312 E HN 0.373 nan 8.360 nan 0.000 0.447 313 V N 0.811 120.646 119.914 -0.131 0.000 2.407 313 V HA -0.256 3.863 4.120 -0.001 0.000 0.248 313 V C 2.368 178.369 176.094 -0.154 0.000 1.055 313 V CA 2.141 64.290 62.300 -0.252 0.000 1.049 313 V CB -0.774 30.674 31.823 -0.625 0.000 0.662 313 V HN 0.397 nan 8.190 nan 0.000 0.455 314 T N 0.421 114.935 114.554 -0.067 0.000 2.759 314 T HA -0.145 4.205 4.350 -0.001 0.000 0.269 314 T C 1.917 176.589 174.700 -0.045 0.000 1.042 314 T CA 1.537 63.629 62.100 -0.012 0.000 1.140 314 T CB -0.606 68.282 68.868 0.033 0.000 0.864 314 T HN 0.644 nan 8.240 nan 0.000 0.455 315 G N 1.513 110.280 108.800 -0.055 0.000 2.418 315 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.217 315 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.217 315 G C 1.562 176.408 174.900 -0.089 0.000 1.158 315 G CA 0.543 45.605 45.100 -0.064 0.000 0.771 315 G HN 0.393 nan 8.290 nan 0.000 0.545 316 E N 0.367 120.508 120.200 -0.099 0.000 2.077 316 E HA -0.075 4.274 4.350 -0.001 0.000 0.193 316 E C 2.852 179.375 176.600 -0.128 0.000 0.989 316 E CA 0.729 57.064 56.400 -0.109 0.000 0.800 316 E CB -0.521 29.106 29.700 -0.122 0.000 0.746 316 E HN 0.325 nan 8.360 nan 0.000 0.452 317 V N 1.187 121.017 119.914 -0.140 0.000 2.427 317 V HA -0.193 3.926 4.120 -0.001 0.000 0.248 317 V C 2.556 178.529 176.094 -0.201 0.000 1.051 317 V CA 1.113 63.309 62.300 -0.174 0.000 1.048 317 V CB -0.401 31.319 31.823 -0.173 0.000 0.666 317 V HN 0.057 nan 8.190 nan 0.000 0.456 318 V N 0.232 120.028 119.914 -0.196 0.000 2.343 318 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 318 V C 2.554 178.523 176.094 -0.208 0.000 1.051 318 V CA 2.474 64.592 62.300 -0.304 0.000 1.036 318 V CB -0.799 30.785 31.823 -0.398 0.000 0.654 318 V HN 0.560 nan 8.190 nan 0.000 0.451 319 R N 0.297 120.710 120.500 -0.145 0.000 2.070 319 R HA -0.158 4.182 4.340 -0.001 0.000 0.233 319 R C 2.315 178.553 176.300 -0.104 0.000 1.137 319 R CA 2.119 58.158 56.100 -0.102 0.000 0.945 319 R CB -0.429 29.821 30.300 -0.083 0.000 0.845 319 R HN 0.441 nan 8.270 nan 0.000 0.430 320 I N 0.777 121.274 120.570 -0.123 0.000 2.151 320 I HA -0.376 3.793 4.170 -0.001 0.000 0.243 320 I C 2.561 178.595 176.117 -0.139 0.000 1.080 320 I CA 1.791 63.014 61.300 -0.128 0.000 1.339 320 I CB -0.251 37.661 38.000 -0.147 0.000 1.039 320 I HN 0.365 nan 8.210 nan 0.000 0.409 321 M N -0.372 119.131 119.600 -0.162 0.000 2.099 321 M HA -0.160 4.319 4.480 -0.001 0.000 0.262 321 M C 2.412 178.659 176.300 -0.088 0.000 1.067 321 M CA 1.466 56.676 55.300 -0.151 0.000 1.124 321 M CB -0.436 32.064 32.600 -0.167 0.000 1.353 321 M HN 0.082 nan 8.290 nan 0.000 0.410 322 V N -0.169 119.712 119.914 -0.055 0.000 2.343 322 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 322 V C 2.391 178.462 176.094 -0.039 0.000 1.051 322 V CA 2.003 64.298 62.300 -0.008 0.000 1.036 322 V CB -0.718 31.114 31.823 0.015 0.000 0.654 322 V HN 0.424 nan 8.190 nan 0.000 0.451 323 S N 0.656 116.321 115.700 -0.058 0.000 2.353 323 S HA -0.162 4.307 4.470 -0.001 0.000 0.222 323 S C 2.121 176.675 174.600 -0.077 0.000 1.035 323 S CA 1.553 59.717 58.200 -0.060 0.000 1.025 323 S CB -0.909 62.253 63.200 -0.063 0.000 0.902 323 S HN 0.686 nan 8.310 nan 0.000 0.440 324 G N 1.661 110.401 108.800 -0.101 0.000 2.440 324 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.218 324 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.218 324 G C 1.324 176.130 174.900 -0.156 0.000 1.154 324 G CA 0.722 45.746 45.100 -0.126 0.000 0.767 324 G HN 0.438 nan 8.290 nan 0.000 0.552 325 L N 0.192 121.318 121.223 -0.162 0.000 2.141 325 L HA -0.051 4.288 4.340 -0.001 0.000 0.209 325 L C 2.926 179.706 176.870 -0.151 0.000 1.094 325 L CA 0.247 54.960 54.840 -0.211 0.000 0.763 325 L CB -0.354 41.589 42.059 -0.194 0.000 0.908 325 L HN 0.102 nan 8.230 nan 0.000 0.437 326 V N -0.120 119.741 119.914 -0.089 0.000 2.379 326 V HA -0.239 3.880 4.120 -0.001 0.000 0.245 326 V C 2.428 178.489 176.094 -0.056 0.000 1.044 326 V CA 1.575 63.842 62.300 -0.054 0.000 1.036 326 V CB -0.440 31.364 31.823 -0.031 0.000 0.664 326 V HN 0.401 nan 8.190 nan 0.000 0.453 327 K N -0.030 120.331 120.400 -0.065 0.000 2.152 327 K HA -0.094 4.225 4.320 -0.001 0.000 0.206 327 K C 1.861 178.431 176.600 -0.049 0.000 1.048 327 K CA 1.274 57.529 56.287 -0.052 0.000 0.933 327 K CB -0.220 32.247 32.500 -0.056 0.000 0.721 327 K HN 0.393 nan 8.250 nan 0.000 0.447 328 L N -0.611 120.555 121.223 -0.095 0.000 2.558 328 L HA 0.094 4.434 4.340 -0.001 0.000 0.225 328 L C 1.205 178.058 176.870 -0.028 0.000 1.128 328 L CA 0.415 55.203 54.840 -0.086 0.000 0.868 328 L CB -0.022 41.850 42.059 -0.312 0.000 1.006 328 L HN 0.442 nan 8.230 nan 0.000 0.454 329 G N 0.293 109.065 108.800 -0.046 0.000 2.157 329 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.248 329 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.248 329 G C 0.812 175.696 174.900 -0.026 0.000 0.979 329 G CA 0.400 45.496 45.100 -0.007 0.000 0.650 329 G HN 0.349 nan 8.290 nan 0.000 0.529 330 I N -0.306 120.186 120.570 -0.129 0.000 2.439 330 I HA 0.176 4.346 4.170 -0.001 0.000 0.251 330 I C 1.348 177.418 176.117 -0.079 0.000 1.139 330 I CA 0.995 62.184 61.300 -0.186 0.000 1.438 330 I CB -0.056 37.659 38.000 -0.476 0.000 1.085 330 I HN 0.131 nan 8.210 nan 0.000 0.427 331 L N 1.313 122.504 121.223 -0.053 0.000 2.354 331 L HA 0.426 4.765 4.340 -0.001 0.000 0.269 331 L C -0.653 176.228 176.870 0.018 0.000 1.005 331 L CA -0.746 54.112 54.840 0.030 0.000 0.819 331 L CB 1.991 44.080 42.059 0.050 0.000 1.311 331 L HN 0.045 nan 8.230 nan 0.000 0.423 332 K N 1.668 122.089 120.400 0.035 0.000 2.471 332 K HA 0.896 5.215 4.320 -0.001 0.000 0.252 332 K C -0.487 176.128 176.600 0.024 0.000 0.938 332 K CA -0.671 55.630 56.287 0.024 0.000 0.796 332 K CB 2.575 35.091 32.500 0.026 0.000 1.161 332 K HN 0.744 nan 8.250 nan 0.000 0.425 333 G N 1.755 110.565 108.800 0.016 0.000 2.325 333 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.285 333 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.285 333 G C -1.953 172.954 174.900 0.011 0.000 1.303 333 G CA -0.838 44.271 45.100 0.015 0.000 0.970 333 G HN 0.757 nan 8.290 nan 0.000 0.490 334 D N -0.598 119.808 120.400 0.010 0.000 2.351 334 D HA 0.470 5.109 4.640 -0.001 0.000 0.251 334 D C 1.769 178.074 176.300 0.009 0.000 1.137 334 D CA 0.267 54.271 54.000 0.007 0.000 0.879 334 D CB 1.591 42.394 40.800 0.006 0.000 1.181 334 D HN 0.407 nan 8.370 nan 0.000 0.448 335 V N 3.895 123.811 119.914 0.003 0.000 2.219 335 V HA -0.296 3.823 4.120 -0.001 0.000 0.248 335 V C 1.758 177.857 176.094 0.007 0.000 1.053 335 V CA 2.163 64.464 62.300 0.002 0.000 1.009 335 V CB -0.522 31.295 31.823 -0.010 0.000 0.636 335 V HN 0.718 nan 8.190 nan 0.000 0.445 336 D N -0.707 119.694 120.400 0.002 0.000 2.158 336 D HA -0.236 4.404 4.640 -0.001 0.000 0.197 336 D C 2.138 178.445 176.300 0.012 0.000 0.995 336 D CA 1.686 55.688 54.000 0.004 0.000 0.846 336 D CB -0.104 40.696 40.800 -0.000 0.000 0.941 336 D HN 0.647 nan 8.370 nan 0.000 0.456 337 E N 0.326 120.534 120.200 0.013 0.000 2.106 337 E HA -0.094 4.255 4.350 -0.001 0.000 0.192 337 E C 2.387 179.002 176.600 0.026 0.000 0.984 337 E CA 0.287 56.697 56.400 0.017 0.000 0.806 337 E CB 0.077 29.785 29.700 0.013 0.000 0.750 337 E HN 0.215 nan 8.360 nan 0.000 0.458 338 L N 0.491 121.734 121.223 0.033 0.000 2.072 338 L HA -0.123 4.217 4.340 -0.001 0.000 0.205 338 L C 2.419 179.335 176.870 0.077 0.000 1.079 338 L CA 0.643 55.514 54.840 0.053 0.000 0.752 338 L CB -0.238 41.856 42.059 0.058 0.000 0.906 338 L HN 0.220 nan 8.230 nan 0.000 0.436 339 I N 0.122 120.732 120.570 0.067 0.000 2.142 339 I HA -0.307 3.863 4.170 -0.001 0.000 0.240 339 I C 2.777 178.940 176.117 0.078 0.000 1.078 339 I CA 1.284 62.632 61.300 0.081 0.000 1.343 339 I CB -0.500 37.517 38.000 0.028 0.000 1.046 339 I HN 0.205 nan 8.210 nan 0.000 0.405 340 A N -0.246 122.602 122.820 0.045 0.000 2.032 340 A HA -0.227 4.092 4.320 -0.001 0.000 0.221 340 A C 2.158 179.763 177.584 0.035 0.000 1.165 340 A CA 1.489 53.547 52.037 0.034 0.000 0.645 340 A CB -0.366 18.646 19.000 0.021 0.000 0.807 340 A HN 0.461 nan 8.150 nan 0.000 0.453 341 Q N -0.800 119.025 119.800 0.041 0.000 2.392 341 Q HA 0.014 4.353 4.340 -0.001 0.000 0.203 341 Q C -0.273 175.737 176.000 0.017 0.000 0.917 341 Q CA 0.101 55.919 55.803 0.025 0.000 0.939 341 Q CB 0.073 28.824 28.738 0.022 0.000 1.063 341 Q HN 0.715 nan 8.270 nan 0.000 0.516 342 N N 0.103 118.846 118.700 0.071 0.000 2.727 342 N HA -0.218 4.521 4.740 -0.001 0.000 0.249 342 N C 0.432 175.867 175.510 -0.125 0.000 1.048 342 N CA 0.807 53.871 53.050 0.024 0.000 0.714 342 N CB -1.060 37.373 38.487 -0.089 0.000 0.959 342 N HN 0.313 nan 8.380 nan 0.000 0.544 343 A N -0.476 122.368 122.820 0.039 0.000 2.248 343 A HA -0.125 4.194 4.320 -0.001 0.000 0.210 343 A C 1.700 179.327 177.584 0.071 0.000 1.174 343 A CA 1.631 53.686 52.037 0.029 0.000 0.750 343 A CB -0.599 18.452 19.000 0.086 0.000 0.780 343 A HN 0.786 nan 8.150 nan 0.000 0.478 344 H N -2.560 116.567 119.070 0.096 0.000 2.497 344 H HA 0.189 4.745 4.556 -0.001 0.000 0.282 344 H C 1.904 177.308 175.328 0.127 0.000 1.003 344 H CA 0.655 56.810 56.048 0.180 0.000 1.307 344 H CB -0.218 29.644 29.762 0.167 0.000 1.437 344 H HN 0.339 nan 8.280 nan 0.000 0.544 345 R N 0.605 120.714 120.500 -0.652 0.000 2.154 345 R HA -0.093 4.247 4.340 -0.001 0.000 0.248 345 R C -0.566 175.568 176.300 -0.276 0.000 1.155 345 R CA 1.782 57.623 56.100 -0.431 0.000 0.979 345 R CB -1.104 28.929 30.300 -0.445 0.000 0.869 345 R HN 0.465 nan 8.270 nan 0.000 0.452 346 P HA -0.104 nan 4.420 nan 0.000 0.226 346 P C 0.374 177.306 177.300 -0.613 0.000 1.153 346 P CA 1.221 63.962 63.100 -0.599 0.000 0.777 346 P CB 0.134 31.293 31.700 -0.901 0.000 0.794 347 F N -3.607 116.407 119.950 0.107 0.000 2.712 347 F HA 0.314 4.840 4.527 -0.001 0.000 0.297 347 F C 0.773 176.770 175.800 0.329 0.000 1.114 347 F CA -0.108 58.000 58.000 0.181 0.000 1.305 347 F CB 0.019 39.080 39.000 0.103 0.000 1.086 347 F HN -0.250 nan 8.300 nan 0.000 0.599 348 F N 2.876 122.953 119.950 0.212 0.000 2.691 348 F HA 0.355 4.882 4.527 -0.001 0.000 0.371 348 F C 0.531 176.352 175.800 0.035 0.000 1.159 348 F CA -1.716 56.366 58.000 0.137 0.000 1.174 348 F CB 0.842 39.911 39.000 0.116 0.000 1.419 348 F HN -0.047 nan 8.300 nan 0.000 0.514 349 M N 2.882 122.388 119.600 -0.158 0.000 2.431 349 M HA 0.276 4.755 4.480 -0.001 0.000 0.237 349 M C -0.997 175.120 176.300 -0.305 0.000 1.130 349 M CA 0.488 55.637 55.300 -0.251 0.000 1.002 349 M CB -1.767 30.764 32.600 -0.115 0.000 1.524 349 M HN 0.560 nan 8.290 nan 0.000 0.482 350 H N -1.505 117.289 119.070 -0.460 0.000 2.824 350 H HA 0.853 5.409 4.556 -0.001 0.000 0.345 350 H C 0.117 175.163 175.328 -0.469 0.000 1.252 350 H CA -0.710 55.132 56.048 -0.343 0.000 1.246 350 H CB 0.037 29.717 29.762 -0.136 0.000 1.908 350 H HN 0.072 nan 8.280 nan 0.000 0.601 351 G N -0.374 108.413 108.800 -0.021 0.000 2.569 351 G HA2 0.212 4.171 3.960 -0.001 0.000 0.249 351 G HA3 0.212 4.171 3.960 -0.001 0.000 0.249 351 G C 0.274 175.301 174.900 0.211 0.000 1.216 351 G CA -0.269 44.813 45.100 -0.031 0.000 0.845 351 G HN 0.670 nan 8.290 nan 0.000 0.568 352 L N 0.075 121.417 121.223 0.199 0.000 2.209 352 L HA 0.288 4.627 4.340 -0.001 0.000 0.207 352 L C 1.003 177.972 176.870 0.165 0.000 1.094 352 L CA 1.183 56.204 54.840 0.302 0.000 0.790 352 L CB 0.006 42.218 42.059 0.256 0.000 0.932 352 L HN 0.432 nan 8.230 nan 0.000 0.447 353 S N -1.946 113.780 115.700 0.043 0.000 2.556 353 S HA 0.630 5.100 4.470 -0.001 0.000 0.271 353 S C -1.580 172.925 174.600 -0.160 0.000 1.135 353 S CA -0.533 57.607 58.200 -0.101 0.000 0.858 353 S CB 1.575 64.703 63.200 -0.120 0.000 1.114 353 S HN 0.498 nan 8.310 nan 0.000 0.468 354 H N -2.025 116.967 119.070 -0.130 0.000 2.930 354 H HA 0.639 5.194 4.556 -0.001 0.000 0.371 354 H C -1.578 173.747 175.328 -0.005 0.000 1.169 354 H CA -1.136 54.845 56.048 -0.111 0.000 1.157 354 H CB 0.130 29.819 29.762 -0.122 0.000 1.789 354 H HN 0.672 nan 8.280 nan 0.000 0.547 355 W N 1.563 123.064 121.300 0.334 0.000 2.160 355 W HA 0.324 4.984 4.660 -0.001 0.000 0.352 355 W C -0.459 176.194 176.519 0.223 0.000 1.288 355 W CA -0.567 56.835 57.345 0.095 0.000 1.279 355 W CB 0.423 29.822 29.460 -0.100 0.000 1.181 355 W HN 0.511 nan 8.180 nan 0.000 0.593 356 L N 1.840 123.289 121.223 0.376 0.000 2.422 356 L HA 0.871 5.210 4.340 -0.001 0.000 0.264 356 L C 0.008 177.004 176.870 0.211 0.000 0.984 356 L CA -0.015 54.997 54.840 0.287 0.000 0.819 356 L CB 1.766 43.956 42.059 0.218 0.000 1.330 356 L HN 0.619 nan 8.230 nan 0.000 0.410 357 G N 2.773 111.693 108.800 0.199 0.000 2.725 357 G HA2 0.090 4.049 3.960 -0.001 0.000 0.098 357 G HA3 0.090 4.049 3.960 -0.001 0.000 0.098 357 G C 0.092 175.053 174.900 0.102 0.000 1.188 357 G CA -0.155 45.081 45.100 0.227 0.000 1.237 357 G HN 0.539 nan 8.290 nan 0.000 0.596 358 L N 1.073 122.239 121.223 -0.094 0.000 2.456 358 L HA 0.191 4.531 4.340 -0.001 0.000 0.224 358 L C -0.021 176.768 176.870 -0.135 0.000 1.148 358 L CA 1.017 55.694 54.840 -0.272 0.000 0.825 358 L CB -0.178 41.737 42.059 -0.240 0.000 0.937 358 L HN 0.219 nan 8.230 nan 0.000 0.450 359 D N -1.844 118.526 120.400 -0.050 0.000 2.738 359 D HA 0.085 4.725 4.640 -0.001 0.000 0.237 359 D C 0.499 176.816 176.300 0.029 0.000 1.123 359 D CA -0.200 53.782 54.000 -0.031 0.000 0.856 359 D CB 3.300 44.077 40.800 -0.038 0.000 1.552 359 D HN -0.319 nan 8.370 nan 0.000 0.480 360 V N 2.401 122.311 119.914 -0.006 0.000 2.332 360 V HA -0.194 3.925 4.120 -0.001 0.000 0.248 360 V C 0.468 176.591 176.094 0.049 0.000 1.055 360 V CA 1.765 64.071 62.300 0.011 0.000 1.038 360 V CB -0.357 31.378 31.823 -0.147 0.000 0.651 360 V HN 0.495 nan 8.190 nan 0.000 0.450 361 H N 0.489 119.473 119.070 -0.142 0.000 2.702 361 H HA 0.273 4.828 4.556 -0.001 0.000 0.252 361 H C -0.464 174.876 175.328 0.019 0.000 1.493 361 H CA -0.815 55.119 56.048 -0.190 0.000 1.273 361 H CB 0.238 29.852 29.762 -0.247 0.000 1.537 361 H HN 0.398 nan 8.280 nan 0.000 0.547 362 D N 1.805 122.356 120.400 0.250 0.000 2.378 362 D HA -0.026 4.613 4.640 -0.001 0.000 0.238 362 D C 0.405 176.785 176.300 0.132 0.000 1.180 362 D CA -0.279 53.815 54.000 0.158 0.000 0.895 362 D CB 1.066 41.966 40.800 0.167 0.000 1.192 362 D HN 0.256 nan 8.370 nan 0.000 0.438 363 V N -0.681 119.186 119.914 -0.077 0.000 3.319 363 V HA 0.790 4.909 4.120 -0.001 0.000 0.303 363 V C 0.625 176.616 176.094 -0.172 0.000 1.094 363 V CA 0.006 62.196 62.300 -0.185 0.000 1.106 363 V CB 0.443 31.871 31.823 -0.658 0.000 1.099 363 V HN 0.853 nan 8.190 nan 0.000 0.476 364 G N 0.464 109.199 108.800 -0.108 0.000 2.535 364 G HA2 0.187 4.147 3.960 -0.001 0.000 0.662 364 G HA3 0.187 4.147 3.960 -0.001 0.000 0.662 364 G C -1.132 173.733 174.900 -0.057 0.000 1.417 364 G CA -0.465 44.480 45.100 -0.259 0.000 0.866 364 G HN 1.357 nan 8.290 nan 0.000 0.647 365 V N 2.773 122.689 119.914 0.002 0.000 2.521 365 V HA 0.230 4.349 4.120 -0.001 0.000 0.286 365 V C 1.108 177.360 176.094 0.264 0.000 1.034 365 V CA 0.384 62.772 62.300 0.147 0.000 1.045 365 V CB 0.796 32.694 31.823 0.125 0.000 0.974 365 V HN 0.698 nan 8.190 nan 0.000 0.480 366 Y N 3.010 123.529 120.300 0.364 0.000 2.448 366 Y HA 0.389 4.939 4.550 -0.001 0.000 0.289 366 Y C 1.562 177.578 175.900 0.193 0.000 1.114 366 Y CA 0.918 59.205 58.100 0.312 0.000 1.235 366 Y CB -0.125 38.384 38.460 0.082 0.000 1.045 366 Y HN 0.911 nan 8.280 nan 0.000 0.554 367 G N 0.770 109.750 108.800 0.299 0.000 2.730 367 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.686 367 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.686 367 G C -0.639 174.351 174.900 0.150 0.000 1.343 367 G CA -0.566 44.650 45.100 0.193 0.000 0.826 367 G HN 0.230 nan 8.290 nan 0.000 0.582 368 Q N 0.454 120.314 119.800 0.101 0.000 2.263 368 Q HA 0.288 4.627 4.340 -0.001 0.000 0.289 368 Q C 0.567 176.597 176.000 0.050 0.000 1.061 368 Q CA 0.976 56.818 55.803 0.066 0.000 0.927 368 Q CB 0.049 28.817 28.738 0.050 0.000 1.154 368 Q HN 0.644 nan 8.270 nan 0.000 0.378 369 D N 3.754 124.165 120.400 0.019 0.000 2.811 369 D HA -0.241 4.398 4.640 -0.001 0.000 0.231 369 D C -0.638 175.658 176.300 -0.008 0.000 1.157 369 D CA 1.345 55.339 54.000 -0.011 0.000 0.716 369 D CB -0.652 40.147 40.800 -0.002 0.000 1.077 369 D HN 0.883 nan 8.370 nan 0.000 0.428 370 R N -1.907 118.605 120.500 0.021 0.000 3.336 370 R HA -0.219 4.120 4.340 -0.001 0.000 0.260 370 R C 1.008 177.365 176.300 0.095 0.000 1.032 370 R CA 0.999 57.136 56.100 0.061 0.000 0.693 370 R CB -2.716 27.525 30.300 -0.099 0.000 1.134 370 R HN 0.453 nan 8.270 nan 0.000 0.433 371 S N -0.963 114.803 115.700 0.111 0.000 2.556 371 S HA 0.014 4.484 4.470 -0.001 0.000 0.216 371 S C 0.868 175.550 174.600 0.137 0.000 0.970 371 S CA -0.419 57.843 58.200 0.104 0.000 0.912 371 S CB 0.353 63.600 63.200 0.078 0.000 0.790 371 S HN 0.460 nan 8.310 nan 0.000 0.504 372 R N 1.724 122.336 120.500 0.187 0.000 2.585 372 R HA 0.098 4.437 4.340 -0.001 0.000 0.275 372 R C -0.244 176.177 176.300 0.202 0.000 1.018 372 R CA -0.264 55.959 56.100 0.205 0.000 1.072 372 R CB 0.127 30.591 30.300 0.273 0.000 0.953 372 R HN 0.215 nan 8.270 nan 0.000 0.419 373 I N 6.309 126.977 120.570 0.165 0.000 2.598 373 I HA -0.029 4.140 4.170 -0.001 0.000 0.284 373 I C 0.637 176.859 176.117 0.175 0.000 1.140 373 I CA 0.183 61.575 61.300 0.153 0.000 1.420 373 I CB 0.045 38.118 38.000 0.121 0.000 1.387 373 I HN 0.594 nan 8.210 nan 0.000 0.553 374 L N 7.270 128.603 121.223 0.182 0.000 2.426 374 L HA 0.236 4.575 4.340 -0.001 0.000 0.271 374 L C 0.552 177.506 176.870 0.139 0.000 1.169 374 L CA -0.000 54.944 54.840 0.174 0.000 0.836 374 L CB 0.392 42.568 42.059 0.196 0.000 1.112 374 L HN 0.599 nan 8.230 nan 0.000 0.465 375 E N 2.595 122.866 120.200 0.119 0.000 2.416 375 E HA 0.413 4.762 4.350 -0.001 0.000 0.273 375 E C -2.553 174.128 176.600 0.134 0.000 0.935 375 E CA -2.157 54.341 56.400 0.164 0.000 0.784 375 E CB 1.846 31.731 29.700 0.308 0.000 1.301 375 E HN 0.304 nan 8.360 nan 0.000 0.454 376 P HA 0.028 nan 4.420 nan 0.000 0.265 376 P C 0.477 177.870 177.300 0.155 0.000 1.193 376 P CA 1.047 64.216 63.100 0.114 0.000 0.765 376 P CB 0.463 32.222 31.700 0.100 0.000 0.823 377 G N 1.741 110.585 108.800 0.073 0.000 2.259 377 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.217 377 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.217 377 G C 0.145 174.980 174.900 -0.108 0.000 1.001 377 G CA -0.381 44.758 45.100 0.065 0.000 0.627 377 G HN 0.448 nan 8.290 nan 0.000 0.501 378 M N 1.391 120.856 119.600 -0.226 0.000 2.217 378 M HA 0.524 5.004 4.480 -0.001 0.000 0.354 378 M C -0.025 176.214 176.300 -0.102 0.000 1.225 378 M CA 0.000 55.102 55.300 -0.331 0.000 1.137 378 M CB 1.677 34.061 32.600 -0.361 0.000 1.576 378 M HN -0.044 nan 8.290 nan 0.000 0.461 379 V N 5.489 125.375 119.914 -0.046 0.000 2.448 379 V HA 0.664 4.783 4.120 -0.001 0.000 0.295 379 V C -0.299 175.880 176.094 0.141 0.000 1.025 379 V CA -0.714 61.608 62.300 0.036 0.000 0.859 379 V CB 1.484 33.331 31.823 0.041 0.000 0.988 379 V HN 0.831 nan 8.190 nan 0.000 0.431 380 L N 2.339 123.592 121.223 0.049 0.000 2.403 380 L HA 0.991 5.330 4.340 -0.001 0.000 0.253 380 L C -0.094 176.689 176.870 -0.146 0.000 1.045 380 L CA -0.703 54.128 54.840 -0.015 0.000 0.845 380 L CB 2.367 44.361 42.059 -0.107 0.000 1.447 380 L HN 0.595 nan 8.230 nan 0.000 0.411 381 T N -1.425 112.961 114.554 -0.280 0.000 2.944 381 T HA 0.781 5.131 4.350 -0.001 0.000 0.284 381 T C -0.431 174.153 174.700 -0.193 0.000 1.010 381 T CA -0.752 61.186 62.100 -0.269 0.000 1.025 381 T CB 1.820 70.402 68.868 -0.476 0.000 1.079 381 T HN 0.536 nan 8.240 nan 0.000 0.516 382 V N 2.404 122.275 119.914 -0.072 0.000 2.462 382 V HA 0.432 4.552 4.120 -0.001 0.000 0.288 382 V C -0.373 175.756 176.094 0.058 0.000 1.020 382 V CA -0.760 61.565 62.300 0.042 0.000 0.857 382 V CB 0.942 32.827 31.823 0.105 0.000 1.013 382 V HN 1.104 nan 8.190 nan 0.000 0.431 383 E N 4.648 124.915 120.200 0.112 0.000 3.666 383 E HA 0.363 4.713 4.350 -0.001 0.000 0.230 383 E C -2.993 173.775 176.600 0.280 0.000 1.235 383 E CA -1.622 54.881 56.400 0.172 0.000 1.096 383 E CB 1.751 31.560 29.700 0.182 0.000 1.287 383 E HN 0.471 nan 8.360 nan 0.000 0.406 384 P HA 0.319 nan 4.420 nan 0.000 0.272 384 P C 0.174 177.416 177.300 -0.096 0.000 1.230 384 P CA 0.210 63.217 63.100 -0.155 0.000 0.788 384 P CB 1.536 33.038 31.700 -0.330 0.000 0.949 385 G N 0.278 108.900 108.800 -0.297 0.000 2.632 385 G HA2 0.575 4.534 3.960 -0.001 0.000 0.292 385 G HA3 0.575 4.534 3.960 -0.001 0.000 0.292 385 G C -2.155 172.492 174.900 -0.422 0.000 1.465 385 G CA -0.627 44.338 45.100 -0.225 0.000 0.824 385 G HN 0.432 nan 8.290 nan 0.000 0.509 386 L N 0.363 121.176 121.223 -0.684 0.000 2.436 386 L HA 0.539 4.879 4.340 -0.001 0.000 0.268 386 L C -1.538 174.956 176.870 -0.628 0.000 0.974 386 L CA -0.863 53.714 54.840 -0.439 0.000 0.826 386 L CB 2.391 44.299 42.059 -0.252 0.000 1.291 386 L HN 0.609 nan 8.230 nan 0.000 0.406 387 Y N 3.784 124.224 120.300 0.233 0.000 2.327 387 Y HA 0.521 5.070 4.550 -0.001 0.000 0.325 387 Y C -0.201 175.871 175.900 0.286 0.000 0.999 387 Y CA -0.659 57.569 58.100 0.214 0.000 1.195 387 Y CB 1.403 39.981 38.460 0.197 0.000 1.132 387 Y HN 0.317 nan 8.280 nan 0.000 0.455 388 I N 3.586 124.346 120.570 0.317 0.000 2.330 388 I HA 0.518 4.688 4.170 -0.001 0.000 0.286 388 I C 0.478 176.746 176.117 0.251 0.000 1.025 388 I CA -0.836 60.657 61.300 0.322 0.000 1.197 388 I CB 0.895 38.991 38.000 0.160 0.000 1.358 388 I HN 0.773 nan 8.210 nan 0.000 0.467 389 A N 8.197 131.165 122.820 0.248 0.000 2.547 389 A HA 0.154 4.473 4.320 -0.001 0.000 0.233 389 A C -1.565 176.097 177.584 0.131 0.000 1.067 389 A CA -0.585 51.547 52.037 0.160 0.000 0.763 389 A CB -0.281 18.792 19.000 0.122 0.000 1.007 389 A HN 0.571 nan 8.150 nan 0.000 0.506 390 P HA -0.095 nan 4.420 nan 0.000 0.222 390 P C 0.380 177.721 177.300 0.068 0.000 1.147 390 P CA 1.593 64.736 63.100 0.071 0.000 0.790 390 P CB 0.135 31.865 31.700 0.050 0.000 0.780 391 D N -1.838 118.605 120.400 0.071 0.000 2.501 391 D HA 0.159 4.799 4.640 -0.001 0.000 0.226 391 D C 0.154 176.501 176.300 0.080 0.000 1.198 391 D CA -0.455 53.582 54.000 0.063 0.000 0.830 391 D CB -0.213 40.615 40.800 0.046 0.000 1.014 391 D HN -0.065 nan 8.370 nan 0.000 0.496 392 A N 0.780 123.669 122.820 0.115 0.000 2.440 392 A HA 0.151 4.471 4.320 -0.001 0.000 0.251 392 A C 0.372 178.038 177.584 0.137 0.000 1.089 392 A CA -0.293 51.837 52.037 0.155 0.000 0.779 392 A CB 0.182 19.340 19.000 0.265 0.000 1.022 392 A HN 0.170 nan 8.150 nan 0.000 0.492 393 E N 1.301 121.577 120.200 0.126 0.000 1.842 393 E HA 0.313 4.663 4.350 -0.001 0.000 0.278 393 E C -0.144 176.530 176.600 0.123 0.000 1.171 393 E CA -0.121 56.341 56.400 0.103 0.000 1.127 393 E CB -0.175 29.572 29.700 0.078 0.000 1.100 393 E HN 0.577 nan 8.360 nan 0.000 0.456 394 V N -0.480 119.507 119.914 0.122 0.000 3.182 394 V HA 0.561 4.680 4.120 -0.001 0.000 0.308 394 V C -2.774 173.394 176.094 0.122 0.000 1.240 394 V CA -3.025 59.347 62.300 0.119 0.000 1.063 394 V CB 1.408 33.298 31.823 0.111 0.000 1.076 394 V HN 0.124 nan 8.190 nan 0.000 0.446 395 P HA 0.071 nan 4.420 nan 0.000 0.260 395 P C 0.980 178.305 177.300 0.041 0.000 1.185 395 P CA 0.716 63.883 63.100 0.112 0.000 0.763 395 P CB 0.361 32.176 31.700 0.192 0.000 0.776 396 E N 4.512 124.707 120.200 -0.009 0.000 2.196 396 E HA -0.411 3.938 4.350 -0.001 0.000 0.222 396 E C 1.450 177.997 176.600 -0.088 0.000 1.072 396 E CA 1.922 58.304 56.400 -0.031 0.000 0.902 396 E CB -0.061 29.616 29.700 -0.039 0.000 0.780 396 E HN 0.555 nan 8.360 nan 0.000 0.467 397 Q N -0.526 119.138 119.800 -0.226 0.000 2.443 397 Q HA -0.190 4.150 4.340 -0.001 0.000 0.213 397 Q C 1.110 176.918 176.000 -0.320 0.000 0.982 397 Q CA 1.350 56.966 55.803 -0.312 0.000 0.894 397 Q CB -0.372 28.105 28.738 -0.436 0.000 0.947 397 Q HN 0.534 nan 8.270 nan 0.000 0.480 398 Y N 0.897 121.193 120.300 -0.007 0.000 2.497 398 Y HA 0.294 4.844 4.550 -0.001 0.000 0.265 398 Y C 0.749 176.654 175.900 0.007 0.000 1.111 398 Y CA -0.542 57.550 58.100 -0.014 0.000 1.288 398 Y CB 0.276 38.705 38.460 -0.052 0.000 1.082 398 Y HN -0.021 nan 8.280 nan 0.000 0.536 399 R N 0.501 121.081 120.500 0.133 0.000 2.585 399 R HA 0.231 4.571 4.340 -0.001 0.000 0.275 399 R C 1.248 177.602 176.300 0.090 0.000 1.018 399 R CA 1.072 57.238 56.100 0.111 0.000 1.072 399 R CB -0.224 30.123 30.300 0.077 0.000 0.953 399 R HN 0.501 nan 8.270 nan 0.000 0.419 400 G N 2.516 111.376 108.800 0.101 0.000 2.143 400 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.248 400 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.248 400 G C 0.105 175.057 174.900 0.086 0.000 0.991 400 G CA -0.323 44.825 45.100 0.081 0.000 0.689 400 G HN 0.540 nan 8.290 nan 0.000 0.522 401 I N 1.186 121.825 120.570 0.114 0.000 2.321 401 I HA 0.558 4.728 4.170 -0.001 0.000 0.291 401 I C 0.815 177.008 176.117 0.127 0.000 0.998 401 I CA -0.284 61.083 61.300 0.111 0.000 1.227 401 I CB 1.733 39.807 38.000 0.124 0.000 1.368 401 I HN 0.134 nan 8.210 nan 0.000 0.466 402 G N 7.789 116.669 108.800 0.133 0.000 2.574 402 G HA2 0.739 4.699 3.960 -0.001 0.000 0.306 402 G HA3 0.739 4.699 3.960 -0.001 0.000 0.306 402 G C -0.859 174.109 174.900 0.114 0.000 1.334 402 G CA -0.285 44.934 45.100 0.198 0.000 0.954 402 G HN 0.472 nan 8.290 nan 0.000 0.500 403 I N 1.452 121.980 120.570 -0.070 0.000 2.582 403 I HA 0.626 4.795 4.170 -0.001 0.000 0.292 403 I C -0.198 175.849 176.117 -0.117 0.000 1.066 403 I CA -0.961 60.330 61.300 -0.014 0.000 1.053 403 I CB 2.789 40.803 38.000 0.024 0.000 1.241 403 I HN 0.449 nan 8.210 nan 0.000 0.421 404 R N 6.458 126.999 120.500 0.069 0.000 2.584 404 R HA 0.721 5.060 4.340 -0.001 0.000 0.276 404 R C -2.156 174.214 176.300 0.116 0.000 1.046 404 R CA -0.501 55.665 56.100 0.110 0.000 0.906 404 R CB 2.031 32.518 30.300 0.312 0.000 1.215 404 R HN 0.636 nan 8.270 nan 0.000 0.449 405 I N 2.774 123.375 120.570 0.051 0.000 2.499 405 I HA 0.383 4.553 4.170 -0.001 0.000 0.288 405 I C -0.868 175.283 176.117 0.057 0.000 1.048 405 I CA -0.642 60.689 61.300 0.052 0.000 1.062 405 I CB 2.121 40.093 38.000 -0.047 0.000 1.238 405 I HN 0.635 nan 8.210 nan 0.000 0.426 406 E N 5.628 125.869 120.200 0.069 0.000 2.275 406 E HA 0.431 4.780 4.350 -0.001 0.000 0.270 406 E C -1.832 174.785 176.600 0.029 0.000 0.882 406 E CA -0.579 55.856 56.400 0.059 0.000 0.758 406 E CB 2.177 31.932 29.700 0.092 0.000 1.195 406 E HN 0.467 nan 8.360 nan 0.000 0.419 407 D N 2.371 122.783 120.400 0.021 0.000 2.423 407 D HA 0.380 5.019 4.640 -0.001 0.000 0.235 407 D C -1.278 175.023 176.300 0.001 0.000 1.011 407 D CA -0.412 53.595 54.000 0.013 0.000 0.963 407 D CB 1.741 42.552 40.800 0.017 0.000 1.349 407 D HN 0.371 nan 8.370 nan 0.000 0.508 408 D N 0.986 121.391 120.400 0.008 0.000 2.308 408 D HA 0.440 5.080 4.640 -0.001 0.000 0.242 408 D C 0.074 176.372 176.300 -0.004 0.000 1.059 408 D CA -0.345 53.655 54.000 0.000 0.000 0.830 408 D CB 1.885 42.706 40.800 0.035 0.000 1.161 408 D HN 0.335 nan 8.370 nan 0.000 0.494 409 I N -1.673 118.880 120.570 -0.028 0.000 3.002 409 I HA 0.716 4.886 4.170 -0.001 0.000 0.310 409 I C -1.146 174.955 176.117 -0.026 0.000 1.087 409 I CA -1.175 60.110 61.300 -0.024 0.000 1.017 409 I CB 2.451 40.430 38.000 -0.034 0.000 1.226 409 I HN 0.103 nan 8.210 nan 0.000 0.443 410 V N 5.613 125.520 119.914 -0.012 0.000 2.487 410 V HA 0.473 4.593 4.120 -0.001 0.000 0.298 410 V C -0.219 175.875 176.094 -0.000 0.000 1.028 410 V CA -0.678 61.617 62.300 -0.009 0.000 0.860 410 V CB 1.687 33.508 31.823 -0.002 0.000 0.991 410 V HN 0.574 nan 8.190 nan 0.000 0.427 411 I N 6.460 127.029 120.570 -0.001 0.000 2.618 411 I HA 0.257 4.426 4.170 -0.001 0.000 0.284 411 I C 0.935 177.074 176.117 0.035 0.000 1.146 411 I CA 0.697 62.012 61.300 0.025 0.000 1.425 411 I CB 0.877 38.897 38.000 0.033 0.000 1.383 411 I HN 0.891 nan 8.210 nan 0.000 0.562 412 T N 2.497 117.077 114.554 0.044 0.000 2.905 412 T HA 0.379 4.729 4.350 -0.001 0.000 0.283 412 T C 1.014 175.743 174.700 0.049 0.000 1.031 412 T CA -0.716 61.409 62.100 0.042 0.000 1.002 412 T CB 1.896 70.784 68.868 0.033 0.000 1.200 412 T HN 0.463 nan 8.240 nan 0.000 0.560 413 E N 0.882 121.108 120.200 0.042 0.000 2.097 413 E HA -0.128 4.222 4.350 -0.001 0.000 0.196 413 E C 2.133 178.757 176.600 0.041 0.000 1.000 413 E CA 2.234 58.659 56.400 0.042 0.000 0.804 413 E CB -0.701 29.018 29.700 0.032 0.000 0.740 413 E HN 0.925 nan 8.360 nan 0.000 0.454 414 T N -3.679 110.897 114.554 0.037 0.000 3.040 414 T HA 0.437 4.786 4.350 -0.001 0.000 0.250 414 T C 0.998 175.723 174.700 0.042 0.000 1.058 414 T CA 0.505 62.627 62.100 0.035 0.000 0.988 414 T CB 0.950 69.835 68.868 0.027 0.000 0.993 414 T HN 0.228 nan 8.240 nan 0.000 0.519 415 G N 1.741 110.571 108.800 0.050 0.000 2.483 415 G HA2 0.367 4.327 3.960 -0.001 0.000 0.090 415 G HA3 0.367 4.327 3.960 -0.001 0.000 0.090 415 G C -1.543 173.398 174.900 0.069 0.000 0.984 415 G CA -0.136 45.001 45.100 0.062 0.000 1.325 415 G HN 0.829 nan 8.290 nan 0.000 0.561 416 N N -0.345 118.391 118.700 0.060 0.000 2.859 416 N HA 0.485 5.225 4.740 -0.001 0.000 0.250 416 N C -1.650 173.882 175.510 0.037 0.000 1.341 416 N CA -0.629 52.452 53.050 0.051 0.000 0.881 416 N CB 2.328 40.856 38.487 0.068 0.000 1.516 416 N HN 0.555 nan 8.380 nan 0.000 0.503 417 E N 0.773 120.988 120.200 0.025 0.000 2.145 417 E HA 0.236 4.586 4.350 -0.001 0.000 0.270 417 E C -1.105 175.504 176.600 0.016 0.000 0.906 417 E CA -0.725 55.686 56.400 0.018 0.000 0.761 417 E CB 0.739 30.447 29.700 0.012 0.000 1.116 417 E HN 0.530 nan 8.360 nan 0.000 0.408 418 N N 5.146 123.857 118.700 0.018 0.000 2.411 418 N HA 0.075 4.815 4.740 -0.001 0.000 0.259 418 N C 0.614 176.131 175.510 0.012 0.000 1.103 418 N CA 0.077 53.137 53.050 0.017 0.000 0.954 418 N CB 0.781 39.280 38.487 0.021 0.000 1.085 418 N HN 0.645 nan 8.380 nan 0.000 0.485 419 L N 2.024 123.253 121.223 0.011 0.000 2.492 419 L HA 0.037 4.376 4.340 -0.001 0.000 0.223 419 L C 1.337 178.213 176.870 0.011 0.000 1.132 419 L CA 0.713 55.558 54.840 0.009 0.000 0.850 419 L CB -0.097 41.969 42.059 0.012 0.000 0.966 419 L HN 0.592 nan 8.230 nan 0.000 0.454 420 T N -4.781 109.782 114.554 0.015 0.000 3.252 420 T HA 0.356 4.705 4.350 -0.001 0.000 0.286 420 T C 1.252 175.962 174.700 0.016 0.000 1.013 420 T CA 0.284 62.395 62.100 0.017 0.000 0.914 420 T CB 0.720 69.599 68.868 0.018 0.000 1.131 420 T HN 0.110 nan 8.240 nan 0.000 0.529 421 A N 1.851 124.681 122.820 0.016 0.000 2.209 421 A HA 0.139 4.458 4.320 -0.001 0.000 0.212 421 A C 2.329 179.925 177.584 0.019 0.000 1.158 421 A CA 0.953 53.001 52.037 0.019 0.000 0.742 421 A CB -0.764 18.247 19.000 0.017 0.000 0.790 421 A HN 0.730 nan 8.150 nan 0.000 0.472 422 S N -1.015 114.695 115.700 0.016 0.000 2.603 422 S HA 0.165 4.634 4.470 -0.001 0.000 0.229 422 S C 0.413 175.028 174.600 0.025 0.000 0.972 422 S CA 0.520 58.729 58.200 0.016 0.000 0.935 422 S CB -0.537 62.667 63.200 0.007 0.000 0.769 422 S HN 0.577 nan 8.310 nan 0.000 0.536 423 V N 2.895 122.828 119.914 0.032 0.000 2.444 423 V HA 0.591 4.710 4.120 -0.001 0.000 0.294 423 V C 0.099 176.218 176.094 0.043 0.000 1.022 423 V CA -0.999 61.326 62.300 0.042 0.000 0.850 423 V CB 1.536 33.397 31.823 0.063 0.000 0.992 423 V HN 0.426 nan 8.190 nan 0.000 0.426 424 V N 5.003 124.941 119.914 0.040 0.000 3.032 424 V HA 0.368 4.487 4.120 -0.001 0.000 0.307 424 V C 0.710 176.860 176.094 0.093 0.000 1.097 424 V CA 1.039 63.371 62.300 0.053 0.000 1.191 424 V CB 0.558 32.404 31.823 0.039 0.000 0.964 424 V HN 1.107 nan 8.190 nan 0.000 0.494 425 K N 0.498 120.970 120.400 0.119 0.000 2.590 425 K HA 0.345 4.664 4.320 -0.001 0.000 0.218 425 K C 0.288 177.040 176.600 0.253 0.000 1.536 425 K CA -0.732 55.679 56.287 0.207 0.000 1.013 425 K CB 0.231 32.828 32.500 0.162 0.000 1.265 425 K HN 0.448 nan 8.250 nan 0.000 0.603 426 K N 3.241 123.730 120.400 0.149 0.000 2.451 426 K HA 0.074 4.393 4.320 -0.001 0.000 0.280 426 K C -1.752 174.903 176.600 0.091 0.000 1.020 426 K CA -1.538 54.820 56.287 0.119 0.000 1.008 426 K CB 0.931 33.469 32.500 0.063 0.000 0.917 426 K HN -0.029 nan 8.250 nan 0.000 0.478 427 P HA -0.188 nan 4.420 nan 0.000 0.216 427 P C 0.335 177.660 177.300 0.042 0.000 1.150 427 P CA 1.531 64.553 63.100 -0.131 0.000 0.843 427 P CB 0.415 31.822 31.700 -0.488 0.000 0.787 428 E N 0.592 120.805 120.200 0.021 0.000 2.072 428 E HA -0.150 4.200 4.350 -0.001 0.000 0.191 428 E C 2.114 178.738 176.600 0.041 0.000 0.985 428 E CA 1.078 57.499 56.400 0.035 0.000 0.801 428 E CB -0.903 28.808 29.700 0.018 0.000 0.750 428 E HN 0.427 nan 8.360 nan 0.000 0.452 429 E N 0.331 120.555 120.200 0.040 0.000 2.153 429 E HA -0.124 4.226 4.350 -0.001 0.000 0.194 429 E C 2.014 178.632 176.600 0.031 0.000 0.988 429 E CA 0.695 57.115 56.400 0.033 0.000 0.811 429 E CB -0.107 29.614 29.700 0.035 0.000 0.746 429 E HN 0.280 nan 8.360 nan 0.000 0.466 430 I N 1.224 121.829 120.570 0.058 0.000 2.163 430 I HA -0.259 3.911 4.170 -0.001 0.000 0.240 430 I C 2.207 178.329 176.117 0.008 0.000 1.081 430 I CA 1.243 62.567 61.300 0.039 0.000 1.353 430 I CB -0.243 37.831 38.000 0.123 0.000 1.054 430 I HN 0.089 nan 8.210 nan 0.000 0.407 431 E N 1.042 121.274 120.200 0.053 0.000 2.118 431 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 431 E C 2.289 178.889 176.600 0.000 0.000 0.992 431 E CA 1.335 57.749 56.400 0.022 0.000 0.804 431 E CB -0.217 29.521 29.700 0.064 0.000 0.741 431 E HN 0.524 nan 8.360 nan 0.000 0.458 432 A N 1.346 124.170 122.820 0.008 0.000 1.898 432 A HA -0.145 4.174 4.320 -0.001 0.000 0.216 432 A C 2.193 179.767 177.584 -0.016 0.000 1.181 432 A CA 0.922 52.958 52.037 -0.002 0.000 0.620 432 A CB -0.507 18.496 19.000 0.004 0.000 0.819 432 A HN 0.216 nan 8.150 nan 0.000 0.442 433 L N -0.545 120.664 121.223 -0.024 0.000 2.017 433 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 433 L C 2.489 179.324 176.870 -0.057 0.000 1.073 433 L CA 2.131 56.946 54.840 -0.041 0.000 0.745 433 L CB -0.367 41.658 42.059 -0.057 0.000 0.894 433 L HN 0.429 nan 8.230 nan 0.000 0.432 434 M N -2.077 117.480 119.600 -0.071 0.000 2.374 434 M HA -0.162 4.318 4.480 -0.001 0.000 0.264 434 M C 1.998 178.270 176.300 -0.047 0.000 1.067 434 M CA 0.944 56.199 55.300 -0.074 0.000 1.103 434 M CB -0.217 32.334 32.600 -0.083 0.000 1.402 434 M HN 0.175 nan 8.290 nan 0.000 0.444 435 V N 0.167 120.060 119.914 -0.034 0.000 2.283 435 V HA -0.171 3.948 4.120 -0.001 0.000 0.243 435 V C 2.567 178.647 176.094 -0.023 0.000 1.039 435 V CA 1.972 64.257 62.300 -0.024 0.000 1.016 435 V CB -0.893 30.921 31.823 -0.016 0.000 0.650 435 V HN 0.492 nan 8.190 nan 0.000 0.449 436 A N -0.245 122.562 122.820 -0.023 0.000 2.019 436 A HA -0.070 4.250 4.320 -0.001 0.000 0.219 436 A C 2.276 179.846 177.584 -0.023 0.000 1.164 436 A CA 1.969 53.994 52.037 -0.020 0.000 0.644 436 A CB -0.530 18.459 19.000 -0.017 0.000 0.805 436 A HN 0.574 nan 8.150 nan 0.000 0.449 437 A N -0.497 122.304 122.820 -0.031 0.000 2.021 437 A HA 0.032 4.351 4.320 -0.001 0.000 0.216 437 A C 2.054 179.620 177.584 -0.031 0.000 1.163 437 A CA 0.783 52.800 52.037 -0.033 0.000 0.676 437 A CB -0.238 18.734 19.000 -0.045 0.000 0.818 437 A HN 0.493 nan 8.150 nan 0.000 0.453 438 R N -0.078 120.403 120.500 -0.031 0.000 2.313 438 R HA 0.068 4.408 4.340 -0.001 0.000 0.199 438 R C 0.906 177.192 176.300 -0.023 0.000 0.958 438 R CA 0.485 56.568 56.100 -0.028 0.000 1.047 438 R CB -0.026 30.257 30.300 -0.028 0.000 0.955 438 R HN 0.426 nan 8.270 nan 0.000 0.481 439 K N 0.925 121.312 120.400 -0.021 0.000 2.487 439 K HA -0.037 4.282 4.320 -0.001 0.000 0.192 439 K C 0.637 177.227 176.600 -0.017 0.000 1.027 439 K CA 0.438 56.715 56.287 -0.017 0.000 1.054 439 K CB 0.274 32.766 32.500 -0.014 0.000 0.824 439 K HN 0.324 nan 8.250 nan 0.000 0.510 440 Q N 0.000 119.788 119.800 -0.019 0.000 2.315 440 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 440 Q CA 0.000 55.791 55.803 -0.019 0.000 1.022 440 Q CB 0.000 28.727 28.738 -0.019 0.000 1.108 440 Q HN 0.000 nan 8.270 nan 0.000 0.481