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 2iwf_1_B DATA FIRST_RESID 8 DATA SEQUENCE ADGSVAPGKL DDYYGFWSSG QTGEMRILGI PSMRELMRVP VFNRCSATGW DATA SEQUENCE GQTNESIRIH QRTMTEKTKK QLAANGKKIH DNGDLHHVHM SFTDGKYDGR DATA SEQUENCE YLFMNDKANT RVARVRCDVM KTDAILEIPN AKGIHGMRPQ KWPRSNYVFC DATA SEQUENCE NGEDEAPLVN DGSTMTDVAT YVNIFTAVDA DKWEVAWQVK VSGNLDNCDA DATA SEQUENCE DYEGKWAFST SYNSEMGMTL EEMTKSEMDH VVVFNIAEIE KAIKAGQYEE DATA SEQUENCE INGVKVVDGR KEAKSLFTRY IPIANNPHGC NMAPDRKHLC VAGKLSPTVT DATA SEQUENCE VLDVTKFDAL FYDNAEPRSA VVAEPELGLG PLHTAFDGRG NAYTSLFLDS DATA SEQUENCE QVVKWNIDEA IRAYAGEKIN PIKDKLDVQY QPGHLKTVMG ETLDAANDWL DATA SEQUENCE VCLCKFSKDR FLNVGPLKPE NDQLIDISGD KMVLVHDGPT FAEPHDAIAV DATA SEQUENCE SPSILPNIRS VWDRNDPLWA ETRKQAEADE VDIDEWTEAV IRDGNKVRVY DATA SEQUENCE MTSVAPSFSQ PSFTVKEGDE VTVIVTNLDE IDDLTHGFTM GNHGVAMEVG DATA SEQUENCE PQQTSSVTFV AANPGVYWYY CQWFCHALHM EMRGRMFVEP 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.662 177.584 0.130 0.000 1.274 8 A CA 0.000 52.075 52.037 0.062 0.000 0.836 8 A CB 0.000 19.040 19.000 0.067 0.000 0.831 9 D N -4.584 115.953 120.400 0.229 0.000 1.149 9 D HA 0.229 4.875 4.640 0.010 0.000 0.854 9 D C 1.087 177.493 176.300 0.177 0.000 0.417 9 D CA 1.677 55.778 54.000 0.169 0.000 1.373 9 D CB -0.505 40.359 40.800 0.106 0.000 1.015 9 D HN 1.598 nan 8.370 nan 0.000 0.406 10 G N 0.267 109.197 108.800 0.216 0.000 2.176 10 G HA2 -0.243 3.723 3.960 0.010 0.000 0.253 10 G HA3 -0.243 3.723 3.960 0.010 0.000 0.253 10 G C 0.155 175.009 174.900 -0.076 0.000 0.979 10 G CA 0.518 45.627 45.100 0.015 0.000 0.641 10 G HN 0.475 nan 8.290 nan 0.000 0.530 11 S N -0.189 115.505 115.700 -0.011 0.000 2.499 11 S HA 0.605 5.081 4.470 0.010 0.000 0.279 11 S C 0.166 174.739 174.600 -0.045 0.000 1.219 11 S CA -0.413 57.762 58.200 -0.042 0.000 1.062 11 S CB 2.350 65.545 63.200 -0.008 0.000 0.978 11 S HN 0.664 nan 8.310 nan 0.000 0.489 12 V N 3.104 122.970 119.914 -0.079 0.000 2.334 12 V HA 0.577 4.703 4.120 0.010 0.000 0.281 12 V C 0.493 176.547 176.094 -0.065 0.000 1.016 12 V CA -0.796 61.459 62.300 -0.076 0.000 0.832 12 V CB 0.898 32.655 31.823 -0.110 0.000 0.999 12 V HN 1.010 nan 8.190 nan 0.000 0.439 13 A N 7.288 130.079 122.820 -0.048 0.000 2.332 13 A HA 0.695 5.021 4.320 0.010 0.000 0.258 13 A C -2.348 175.207 177.584 -0.048 0.000 1.087 13 A CA -1.375 50.638 52.037 -0.042 0.000 0.802 13 A CB -0.178 18.804 19.000 -0.030 0.000 1.042 13 A HN 0.667 nan 8.150 nan 0.000 0.489 14 P HA 0.172 nan 4.420 nan 0.000 0.263 14 P C 1.096 178.370 177.300 -0.044 0.000 1.175 14 P CA 2.158 65.230 63.100 -0.045 0.000 0.761 14 P CB 0.423 32.099 31.700 -0.038 0.000 0.794 15 G N 1.550 110.322 108.800 -0.048 0.000 2.304 15 G HA2 -0.260 3.706 3.960 0.010 0.000 0.252 15 G HA3 -0.260 3.706 3.960 0.010 0.000 0.252 15 G C 0.172 175.042 174.900 -0.051 0.000 1.014 15 G CA 0.240 45.313 45.100 -0.045 0.000 0.619 15 G HN 0.522 nan 8.290 nan 0.000 0.525 16 K N 0.380 120.746 120.400 -0.056 0.000 2.098 16 K HA 0.804 5.130 4.320 0.010 0.000 0.261 16 K C 0.539 177.090 176.600 -0.083 0.000 0.987 16 K CA -0.395 55.854 56.287 -0.062 0.000 0.916 16 K CB 1.051 33.518 32.500 -0.054 0.000 1.039 16 K HN 0.297 nan 8.250 nan 0.000 0.455 17 L N 1.355 122.520 121.223 -0.096 0.000 2.334 17 L HA 0.357 4.703 4.340 0.010 0.000 0.272 17 L C 0.231 177.008 176.870 -0.156 0.000 1.020 17 L CA -0.967 53.795 54.840 -0.131 0.000 0.812 17 L CB 1.317 43.295 42.059 -0.136 0.000 1.264 17 L HN 0.532 nan 8.230 nan 0.000 0.439 18 D N 0.781 121.060 120.400 -0.202 0.000 2.378 18 D HA -0.046 4.600 4.640 0.010 0.000 0.238 18 D C -0.007 176.141 176.300 -0.253 0.000 1.180 18 D CA 0.083 53.950 54.000 -0.222 0.000 0.895 18 D CB 1.326 41.968 40.800 -0.264 0.000 1.192 18 D HN 0.521 nan 8.370 nan 0.000 0.438 19 D N -0.078 120.166 120.400 -0.260 0.000 2.249 19 D HA -0.026 4.620 4.640 0.010 0.000 0.205 19 D C -0.068 175.844 176.300 -0.646 0.000 0.962 19 D CA 1.032 54.762 54.000 -0.450 0.000 0.860 19 D CB 0.353 40.861 40.800 -0.485 0.000 0.955 19 D HN 0.407 nan 8.370 nan 0.000 0.505 20 Y N -1.300 118.934 120.300 -0.110 0.000 2.524 20 Y HA 0.321 4.878 4.550 0.010 0.000 0.347 20 Y C -0.705 175.077 175.900 -0.197 0.000 1.005 20 Y CA -1.278 56.783 58.100 -0.065 0.000 1.025 20 Y CB 1.235 39.711 38.460 0.027 0.000 1.275 20 Y HN -0.269 nan 8.280 nan 0.000 0.460 21 Y N 0.874 121.193 120.300 0.032 0.000 2.316 21 Y HA 0.474 5.030 4.550 0.010 0.000 0.331 21 Y C 0.791 176.507 175.900 -0.307 0.000 1.083 21 Y CA -0.464 57.476 58.100 -0.267 0.000 1.206 21 Y CB 1.128 39.311 38.460 -0.460 0.000 1.195 21 Y HN 0.691 nan 8.280 nan 0.000 0.497 22 G N 3.520 112.214 108.800 -0.177 0.000 2.332 22 G HA2 0.523 4.489 3.960 0.010 0.000 0.310 22 G HA3 0.523 4.489 3.960 0.010 0.000 0.310 22 G C -1.442 173.346 174.900 -0.187 0.000 1.123 22 G CA -0.455 44.670 45.100 0.042 0.000 0.873 22 G HN 0.500 nan 8.290 nan 0.000 0.460 23 F N 1.868 121.994 119.950 0.293 0.000 2.403 23 F HA 0.380 4.913 4.527 0.010 0.000 0.355 23 F C -0.002 175.907 175.800 0.181 0.000 1.119 23 F CA -0.954 57.148 58.000 0.170 0.000 1.007 23 F CB 1.569 40.561 39.000 -0.013 0.000 1.194 23 F HN 0.335 nan 8.300 nan 0.000 0.443 24 W N 3.191 124.544 121.300 0.088 0.000 2.551 24 W HA 0.388 5.054 4.660 0.010 0.000 0.330 24 W C 0.155 176.699 176.519 0.041 0.000 1.063 24 W CA -0.827 56.540 57.345 0.037 0.000 1.222 24 W CB 2.422 31.892 29.460 0.017 0.000 1.349 24 W HN 0.507 nan 8.180 nan 0.000 0.536 25 S N 0.760 116.500 115.700 0.068 0.000 2.634 25 S HA 0.241 4.717 4.470 0.010 0.000 0.261 25 S C 0.563 175.286 174.600 0.205 0.000 1.271 25 S CA 0.099 58.357 58.200 0.096 0.000 0.985 25 S CB 1.577 64.777 63.200 -0.001 0.000 0.968 25 S HN 0.454 nan 8.310 nan 0.000 0.568 26 S N -1.262 114.547 115.700 0.181 0.000 2.893 26 S HA 0.502 4.979 4.470 0.010 0.000 0.258 26 S C 1.256 175.958 174.600 0.170 0.000 1.034 26 S CA 0.187 58.508 58.200 0.202 0.000 1.167 26 S CB -0.764 62.561 63.200 0.208 0.000 1.137 26 S HN 1.938 nan 8.310 nan 0.000 0.650 27 G N 3.792 112.686 108.800 0.156 0.000 2.672 27 G HA2 -0.466 3.500 3.960 0.010 0.000 0.324 27 G HA3 -0.466 3.500 3.960 0.010 0.000 0.324 27 G C 1.008 175.971 174.900 0.106 0.000 1.286 27 G CA 1.012 46.163 45.100 0.086 0.000 1.004 27 G HN 0.755 nan 8.290 nan 0.000 0.548 28 Q N 0.063 119.926 119.800 0.106 0.000 2.437 28 Q HA -0.027 4.320 4.340 0.010 0.000 0.210 28 Q C 2.274 178.374 176.000 0.166 0.000 0.972 28 Q CA 2.218 58.094 55.803 0.121 0.000 0.903 28 Q CB -0.875 27.919 28.738 0.095 0.000 0.967 28 Q HN 0.628 nan 8.270 nan 0.000 0.486 29 T N 0.850 115.520 114.554 0.194 0.000 2.833 29 T HA 0.019 4.376 4.350 0.010 0.000 0.269 29 T C 1.344 176.190 174.700 0.243 0.000 1.054 29 T CA 1.759 64.014 62.100 0.259 0.000 1.135 29 T CB -0.468 68.591 68.868 0.319 0.000 0.869 29 T HN 0.711 nan 8.240 nan 0.000 0.466 30 G N 2.099 111.047 108.800 0.247 0.000 2.162 30 G HA2 -0.260 3.707 3.960 0.010 0.000 0.260 30 G HA3 -0.260 3.707 3.960 0.010 0.000 0.260 30 G C -0.037 175.014 174.900 0.251 0.000 0.976 30 G CA 0.562 45.857 45.100 0.325 0.000 0.655 30 G HN 0.711 nan 8.290 nan 0.000 0.533 31 E N -0.832 119.469 120.200 0.169 0.000 2.264 31 E HA 0.768 5.125 4.350 0.010 0.000 0.260 31 E C 0.047 176.688 176.600 0.068 0.000 0.961 31 E CA -1.380 55.062 56.400 0.070 0.000 0.834 31 E CB 1.305 31.048 29.700 0.071 0.000 1.230 31 E HN 0.217 nan 8.360 nan 0.000 0.412 32 M N 1.055 120.662 119.600 0.012 0.000 2.363 32 M HA 0.383 4.869 4.480 0.010 0.000 0.343 32 M C -0.894 175.460 176.300 0.091 0.000 1.165 32 M CA -0.527 54.809 55.300 0.060 0.000 1.046 32 M CB 1.294 33.896 32.600 0.003 0.000 1.648 32 M HN 0.532 nan 8.290 nan 0.000 0.452 33 R N 3.954 124.551 120.500 0.162 0.000 2.711 33 R HA 0.686 5.032 4.340 0.010 0.000 0.284 33 R C -1.272 175.113 176.300 0.142 0.000 0.968 33 R CA -0.714 55.458 56.100 0.120 0.000 0.924 33 R CB 2.006 32.361 30.300 0.092 0.000 1.162 33 R HN 0.680 nan 8.270 nan 0.000 0.465 34 I N 3.826 124.423 120.570 0.046 0.000 2.362 34 I HA 0.336 4.513 4.170 0.010 0.000 0.289 34 I C -0.399 175.633 176.117 -0.140 0.000 0.994 34 I CA -0.530 60.754 61.300 -0.026 0.000 1.158 34 I CB 1.146 39.162 38.000 0.027 0.000 1.315 34 I HN 0.283 nan 8.210 nan 0.000 0.451 35 L N 4.766 125.854 121.223 -0.225 0.000 2.322 35 L HA 0.664 5.011 4.340 0.010 0.000 0.269 35 L C 0.525 177.226 176.870 -0.282 0.000 1.012 35 L CA -0.830 53.810 54.840 -0.334 0.000 0.815 35 L CB 1.901 43.583 42.059 -0.629 0.000 1.295 35 L HN 0.601 nan 8.230 nan 0.000 0.438 36 G N 2.184 110.810 108.800 -0.289 0.000 2.338 36 G HA2 0.547 4.514 3.960 0.010 0.000 0.298 36 G HA3 0.547 4.514 3.960 0.010 0.000 0.298 36 G C -0.506 174.239 174.900 -0.258 0.000 1.140 36 G CA -0.359 44.575 45.100 -0.277 0.000 0.860 36 G HN 0.240 nan 8.290 nan 0.000 0.470 37 I N 3.929 124.387 120.570 -0.186 0.000 2.441 37 I HA 0.318 4.494 4.170 0.010 0.000 0.295 37 I C -1.787 174.223 176.117 -0.178 0.000 0.994 37 I CA -2.948 58.237 61.300 -0.191 0.000 1.144 37 I CB 2.286 40.256 38.000 -0.049 0.000 1.314 37 I HN 0.304 nan 8.210 nan 0.000 0.445 38 P HA 0.048 nan 4.420 nan 0.000 0.261 38 P C 1.039 178.048 177.300 -0.485 0.000 1.352 38 P CA 0.242 62.976 63.100 -0.610 0.000 0.891 38 P CB 0.273 31.467 31.700 -0.843 0.000 1.383 39 S N -0.564 114.917 115.700 -0.366 0.000 2.406 39 S HA -0.059 4.417 4.470 0.010 0.000 0.228 39 S C 1.331 175.649 174.600 -0.470 0.000 1.020 39 S CA 0.560 58.536 58.200 -0.374 0.000 0.965 39 S CB -0.961 62.078 63.200 -0.268 0.000 0.798 39 S HN -0.055 nan 8.310 nan 0.000 0.488 40 M N -0.346 119.007 119.600 -0.412 0.000 2.872 40 M HA -0.133 4.353 4.480 0.010 0.000 0.200 40 M C -0.307 175.787 176.300 -0.344 0.000 0.582 40 M CA 0.775 55.837 55.300 -0.396 0.000 0.706 40 M CB -2.504 29.880 32.600 -0.361 0.000 2.560 40 M HN 0.516 nan 8.290 nan 0.000 0.476 41 R N 1.070 121.389 120.500 -0.302 0.000 2.410 41 R HA 0.392 4.739 4.340 0.010 0.000 0.288 41 R C 0.684 176.832 176.300 -0.253 0.000 1.051 41 R CA -0.469 55.487 56.100 -0.239 0.000 1.021 41 R CB 1.047 31.230 30.300 -0.195 0.000 1.032 41 R HN 0.233 nan 8.270 nan 0.000 0.481 42 E N 3.662 123.732 120.200 -0.217 0.000 2.070 42 E HA 0.000 4.357 4.350 0.010 0.000 0.282 42 E C 0.537 177.053 176.600 -0.140 0.000 1.104 42 E CA -0.132 56.148 56.400 -0.201 0.000 0.876 42 E CB 0.539 30.137 29.700 -0.170 0.000 1.055 42 E HN 0.549 nan 8.360 nan 0.000 0.401 43 L N 3.997 125.139 121.223 -0.134 0.000 2.156 43 L HA 0.056 4.402 4.340 0.010 0.000 0.208 43 L C 0.723 177.570 176.870 -0.038 0.000 1.095 43 L CA 0.592 55.380 54.840 -0.086 0.000 0.770 43 L CB -0.011 41.998 42.059 -0.083 0.000 0.914 43 L HN 0.585 nan 8.230 nan 0.000 0.439 44 M N -1.105 118.477 119.600 -0.029 0.000 2.523 44 M HA 0.326 4.812 4.480 0.010 0.000 0.287 44 M C -1.740 174.566 176.300 0.009 0.000 1.160 44 M CA -0.470 54.834 55.300 0.006 0.000 0.902 44 M CB 1.698 34.315 32.600 0.029 0.000 1.752 44 M HN -0.146 nan 8.290 nan 0.000 0.504 45 R N 2.386 122.898 120.500 0.019 0.000 2.338 45 R HA 0.790 5.136 4.340 0.010 0.000 0.317 45 R C -1.216 175.085 176.300 0.002 0.000 0.968 45 R CA -0.977 55.134 56.100 0.018 0.000 0.849 45 R CB 1.555 31.868 30.300 0.022 0.000 1.128 45 R HN 0.502 nan 8.270 nan 0.000 0.448 46 V N 5.350 125.244 119.914 -0.033 0.000 2.347 46 V HA 0.285 4.411 4.120 0.010 0.000 0.280 46 V C -1.878 174.090 176.094 -0.211 0.000 1.021 46 V CA -2.076 60.151 62.300 -0.123 0.000 0.847 46 V CB 1.346 33.085 31.823 -0.140 0.000 0.990 46 V HN 0.678 nan 8.190 nan 0.000 0.444 47 P HA 0.320 nan 4.420 nan 0.000 0.279 47 P C -0.059 176.776 177.300 -0.775 0.000 1.239 47 P CA 0.100 62.973 63.100 -0.379 0.000 0.789 47 P CB 2.517 34.067 31.700 -0.250 0.000 0.933 48 V N 1.870 121.542 119.914 -0.404 0.000 3.889 48 V HA 0.151 4.277 4.120 0.010 0.000 0.184 48 V C 1.391 177.391 176.094 -0.155 0.000 1.311 48 V CA 0.718 62.722 62.300 -0.494 0.000 1.277 48 V CB -0.670 30.740 31.823 -0.688 0.000 1.364 48 V HN 0.326 nan 8.190 nan 0.000 0.567 49 F N 1.924 122.051 119.950 0.295 0.000 2.678 49 F HA 0.316 4.849 4.527 0.010 0.000 0.305 49 F C 1.047 177.072 175.800 0.375 0.000 1.090 49 F CA -0.369 57.852 58.000 0.368 0.000 1.272 49 F CB 0.036 39.178 39.000 0.236 0.000 1.060 49 F HN 0.332 nan 8.300 nan 0.000 0.576 50 N N 0.224 119.202 118.700 0.463 0.000 2.476 50 N HA 0.349 5.096 4.740 0.010 0.000 0.275 50 N C -0.273 175.470 175.510 0.388 0.000 1.190 50 N CA -0.968 52.300 53.050 0.363 0.000 0.977 50 N CB 0.684 39.332 38.487 0.268 0.000 1.200 50 N HN -0.127 nan 8.380 nan 0.000 0.515 51 R N 0.964 121.622 120.500 0.264 0.000 2.204 51 R HA 0.241 4.587 4.340 0.010 0.000 0.341 51 R C -1.416 175.007 176.300 0.205 0.000 1.035 51 R CA -0.655 55.571 56.100 0.210 0.000 0.887 51 R CB -0.175 30.202 30.300 0.128 0.000 1.114 51 R HN 0.741 nan 8.270 nan 0.000 0.473 52 C N 4.466 123.923 119.300 0.262 0.000 2.256 52 C HA 0.238 4.704 4.460 0.010 0.000 0.333 52 C C 1.905 177.001 174.990 0.177 0.000 1.183 52 C CA -0.104 59.047 59.018 0.221 0.000 1.692 52 C CB -0.702 27.202 27.740 0.273 0.000 2.274 52 C HN 1.050 nan 8.230 nan 0.000 0.509 53 S N 4.376 120.149 115.700 0.121 0.000 2.383 53 S HA -0.135 4.342 4.470 0.010 0.000 0.229 53 S C 2.038 176.701 174.600 0.105 0.000 1.030 53 S CA 2.086 60.340 58.200 0.091 0.000 1.002 53 S CB -0.094 63.138 63.200 0.053 0.000 0.829 53 S HN 1.017 nan 8.310 nan 0.000 0.467 54 A N 0.670 123.558 122.820 0.113 0.000 1.845 54 A HA -0.072 4.255 4.320 0.010 0.000 0.215 54 A C 2.505 180.291 177.584 0.337 0.000 1.195 54 A CA 2.384 54.495 52.037 0.124 0.000 0.616 54 A CB -1.480 17.570 19.000 0.083 0.000 0.832 54 A HN 0.765 nan 8.150 nan 0.000 0.443 55 T N -5.157 109.615 114.554 0.364 0.000 3.057 55 T HA 0.414 4.770 4.350 0.010 0.000 0.254 55 T C 1.431 176.313 174.700 0.304 0.000 1.094 55 T CA 1.148 63.489 62.100 0.402 0.000 1.088 55 T CB 0.376 69.450 68.868 0.344 0.000 0.934 55 T HN 1.804 nan 8.240 nan 0.000 0.497 56 G N 0.467 109.422 108.800 0.258 0.000 2.195 56 G HA2 -0.225 3.741 3.960 0.010 0.000 0.246 56 G HA3 -0.225 3.741 3.960 0.010 0.000 0.246 56 G C 0.002 175.016 174.900 0.190 0.000 0.984 56 G CA -0.113 45.099 45.100 0.186 0.000 0.633 56 G HN 0.640 nan 8.290 nan 0.000 0.525 57 W N 1.542 122.906 121.300 0.106 0.000 2.505 57 W HA 0.353 5.019 4.660 0.009 0.000 0.332 57 W C 1.129 177.707 176.519 0.098 0.000 1.434 57 W CA 1.559 58.972 57.345 0.114 0.000 1.320 57 W CB -0.235 29.301 29.460 0.127 0.000 1.363 57 W HN 1.341 nan 8.180 nan 0.000 0.565 58 G N 3.556 112.109 108.800 -0.412 0.000 2.218 58 G HA2 -0.328 3.638 3.960 0.010 0.000 0.216 58 G HA3 -0.328 3.638 3.960 0.010 0.000 0.216 58 G C 0.650 175.414 174.900 -0.227 0.000 0.994 58 G CA 0.438 45.324 45.100 -0.357 0.000 0.637 58 G HN 0.621 nan 8.290 nan 0.000 0.505 59 Q N -0.039 119.677 119.800 -0.140 0.000 2.254 59 Q HA 0.266 4.612 4.340 0.010 0.000 0.259 59 Q C 0.957 176.913 176.000 -0.073 0.000 0.815 59 Q CA 0.838 56.590 55.803 -0.086 0.000 0.961 59 Q CB -0.110 28.613 28.738 -0.025 0.000 1.140 59 Q HN 0.766 nan 8.270 nan 0.000 0.502 60 T N -0.372 114.138 114.554 -0.073 0.000 2.937 60 T HA 0.095 4.451 4.350 0.010 0.000 0.316 60 T C 0.486 175.130 174.700 -0.093 0.000 1.079 60 T CA 0.497 62.560 62.100 -0.061 0.000 1.131 60 T CB 0.781 69.634 68.868 -0.025 0.000 1.000 60 T HN 0.297 nan 8.240 nan 0.000 0.549 61 N N 1.262 119.918 118.700 -0.073 0.000 2.166 61 N HA -0.113 4.633 4.740 0.010 0.000 0.186 61 N C 1.768 177.243 175.510 -0.058 0.000 1.019 61 N CA 1.173 54.182 53.050 -0.069 0.000 0.856 61 N CB -0.123 38.324 38.487 -0.066 0.000 0.993 61 N HN 0.709 nan 8.380 nan 0.000 0.426 62 E N 0.229 120.408 120.200 -0.035 0.000 2.077 62 E HA -0.162 4.194 4.350 0.010 0.000 0.193 62 E C 2.199 178.772 176.600 -0.046 0.000 0.989 62 E CA 1.442 57.846 56.400 0.008 0.000 0.800 62 E CB -0.133 29.615 29.700 0.080 0.000 0.746 62 E HN 0.406 nan 8.360 nan 0.000 0.452 63 S N 0.154 115.746 115.700 -0.180 0.000 2.371 63 S HA -0.071 4.405 4.470 0.010 0.000 0.224 63 S C 2.094 176.503 174.600 -0.319 0.000 1.029 63 S CA 0.648 58.519 58.200 -0.549 0.000 0.978 63 S CB -0.438 62.127 63.200 -1.058 0.000 0.833 63 S HN 0.187 nan 8.310 nan 0.000 0.466 64 I N 1.846 122.288 120.570 -0.214 0.000 2.286 64 I HA -0.147 4.029 4.170 0.010 0.000 0.248 64 I C 3.017 179.119 176.117 -0.026 0.000 1.115 64 I CA 1.408 62.634 61.300 -0.123 0.000 1.392 64 I CB -0.368 37.557 38.000 -0.125 0.000 1.065 64 I HN 0.324 nan 8.210 nan 0.000 0.418 65 R N 1.503 121.986 120.500 -0.029 0.000 2.083 65 R HA -0.184 4.163 4.340 0.010 0.000 0.237 65 R C 2.319 178.638 176.300 0.031 0.000 1.137 65 R CA 1.724 57.827 56.100 0.004 0.000 0.951 65 R CB -0.234 30.069 30.300 0.004 0.000 0.851 65 R HN 0.282 nan 8.270 nan 0.000 0.434 66 I N -0.123 120.463 120.570 0.026 0.000 2.202 66 I HA -0.293 3.883 4.170 0.010 0.000 0.242 66 I C 2.365 178.518 176.117 0.060 0.000 1.091 66 I CA 1.243 62.573 61.300 0.050 0.000 1.368 66 I CB -0.468 37.584 38.000 0.086 0.000 1.058 66 I HN 0.338 nan 8.210 nan 0.000 0.410 67 H N 0.644 119.716 119.070 0.004 0.000 2.319 67 H HA -0.197 4.366 4.556 0.010 0.000 0.299 67 H C 2.002 177.372 175.328 0.069 0.000 1.092 67 H CA 1.665 57.749 56.048 0.060 0.000 1.302 67 H CB -0.047 29.712 29.762 -0.005 0.000 1.373 67 H HN 0.503 nan 8.280 nan 0.000 0.497 68 Q N 0.074 119.966 119.800 0.154 0.000 2.424 68 Q HA -0.013 4.333 4.340 0.010 0.000 0.204 68 Q C 2.283 178.324 176.000 0.069 0.000 0.933 68 Q CA -0.194 55.664 55.803 0.092 0.000 0.929 68 Q CB 0.276 29.041 28.738 0.046 0.000 1.037 68 Q HN 0.311 nan 8.270 nan 0.000 0.511 69 R N 1.064 121.606 120.500 0.070 0.000 2.119 69 R HA -0.170 4.176 4.340 0.010 0.000 0.246 69 R C 1.586 177.916 176.300 0.050 0.000 1.146 69 R CA 1.991 58.125 56.100 0.056 0.000 0.962 69 R CB -0.129 30.209 30.300 0.064 0.000 0.863 69 R HN 0.256 nan 8.270 nan 0.000 0.442 70 T N -2.933 111.658 114.554 0.062 0.000 3.182 70 T HA 0.239 4.595 4.350 0.010 0.000 0.277 70 T C 0.528 175.254 174.700 0.043 0.000 1.013 70 T CA -0.483 61.642 62.100 0.042 0.000 0.900 70 T CB 0.062 68.952 68.868 0.037 0.000 1.098 70 T HN 0.102 nan 8.240 nan 0.000 0.543 71 M N 4.202 123.836 119.600 0.056 0.000 2.238 71 M HA 0.244 4.730 4.480 0.010 0.000 0.350 71 M C 0.547 176.869 176.300 0.037 0.000 1.321 71 M CA -0.067 55.269 55.300 0.060 0.000 1.097 71 M CB 0.733 33.372 32.600 0.065 0.000 1.713 71 M HN 0.484 nan 8.290 nan 0.000 0.455 72 T N 1.303 115.879 114.554 0.036 0.000 2.828 72 T HA 0.176 4.533 4.350 0.010 0.000 0.290 72 T C 0.918 175.629 174.700 0.019 0.000 1.019 72 T CA -0.799 61.314 62.100 0.022 0.000 1.031 72 T CB 0.801 69.680 68.868 0.018 0.000 1.001 72 T HN 0.667 nan 8.240 nan 0.000 0.531 73 E N 0.777 120.985 120.200 0.013 0.000 2.072 73 E HA -0.070 4.286 4.350 0.010 0.000 0.191 73 E C 2.050 178.657 176.600 0.011 0.000 0.985 73 E CA 1.249 57.655 56.400 0.009 0.000 0.801 73 E CB -0.224 29.480 29.700 0.007 0.000 0.750 73 E HN 0.708 nan 8.360 nan 0.000 0.452 74 K N -0.018 120.390 120.400 0.014 0.000 2.097 74 K HA -0.047 4.279 4.320 0.010 0.000 0.205 74 K C 2.212 178.827 176.600 0.025 0.000 1.050 74 K CA 1.416 57.713 56.287 0.017 0.000 0.938 74 K CB -0.092 32.417 32.500 0.016 0.000 0.718 74 K HN 0.029 nan 8.250 nan 0.000 0.442 75 T N 1.252 115.827 114.554 0.037 0.000 2.746 75 T HA -0.112 4.244 4.350 0.010 0.000 0.267 75 T C 1.641 176.345 174.700 0.007 0.000 1.039 75 T CA 1.172 63.303 62.100 0.052 0.000 1.142 75 T CB -0.015 68.912 68.868 0.097 0.000 0.866 75 T HN 0.208 nan 8.240 nan 0.000 0.444 76 K N 0.894 121.295 120.400 0.003 0.000 2.032 76 K HA -0.118 4.208 4.320 0.010 0.000 0.209 76 K C 2.416 179.004 176.600 -0.020 0.000 1.048 76 K CA 1.218 57.496 56.287 -0.016 0.000 0.927 76 K CB -0.161 32.335 32.500 -0.007 0.000 0.712 76 K HN 0.232 nan 8.250 nan 0.000 0.441 77 K N 1.285 121.681 120.400 -0.007 0.000 2.032 77 K HA -0.212 4.115 4.320 0.010 0.000 0.209 77 K C 2.154 178.750 176.600 -0.006 0.000 1.048 77 K CA 1.571 57.855 56.287 -0.005 0.000 0.927 77 K CB 0.094 32.596 32.500 0.003 0.000 0.712 77 K HN 0.174 nan 8.250 nan 0.000 0.441 78 Q N 0.283 120.082 119.800 -0.000 0.000 2.050 78 Q HA -0.153 4.194 4.340 0.010 0.000 0.202 78 Q C 2.310 178.296 176.000 -0.024 0.000 0.980 78 Q CA 1.481 57.288 55.803 0.006 0.000 0.840 78 Q CB -0.114 28.648 28.738 0.038 0.000 0.898 78 Q HN 0.338 nan 8.270 nan 0.000 0.424 79 L N 0.324 121.504 121.223 -0.072 0.000 2.017 79 L HA -0.212 4.135 4.340 0.010 0.000 0.208 79 L C 2.592 179.422 176.870 -0.067 0.000 1.073 79 L CA 1.117 55.886 54.840 -0.119 0.000 0.745 79 L CB -0.712 41.233 42.059 -0.190 0.000 0.894 79 L HN 0.207 nan 8.230 nan 0.000 0.432 80 A N 0.043 122.835 122.820 -0.048 0.000 1.917 80 A HA -0.238 4.089 4.320 0.010 0.000 0.219 80 A C 2.432 180.003 177.584 -0.021 0.000 1.182 80 A CA 1.969 53.987 52.037 -0.031 0.000 0.633 80 A CB -0.766 18.221 19.000 -0.023 0.000 0.819 80 A HN 0.441 nan 8.150 nan 0.000 0.448 81 A N -0.842 121.969 122.820 -0.015 0.000 2.119 81 A HA -0.030 4.296 4.320 0.010 0.000 0.217 81 A C 1.367 178.949 177.584 -0.003 0.000 1.153 81 A CA 1.391 53.425 52.037 -0.005 0.000 0.692 81 A CB -0.447 18.554 19.000 0.001 0.000 0.799 81 A HN 0.620 nan 8.150 nan 0.000 0.458 82 N N -1.068 117.627 118.700 -0.009 0.000 2.275 82 N HA 0.364 5.110 4.740 0.010 0.000 0.236 82 N C 0.635 176.140 175.510 -0.009 0.000 1.154 82 N CA 0.602 53.651 53.050 -0.002 0.000 0.866 82 N CB 0.707 39.196 38.487 0.004 0.000 1.093 82 N HN 0.417 nan 8.380 nan 0.000 0.515 83 G N 1.034 109.825 108.800 -0.014 0.000 2.273 83 G HA2 -0.319 3.647 3.960 0.010 0.000 0.280 83 G HA3 -0.319 3.647 3.960 0.010 0.000 0.280 83 G C -0.309 174.575 174.900 -0.026 0.000 1.047 83 G CA 0.440 45.531 45.100 -0.016 0.000 0.869 83 G HN 0.313 nan 8.290 nan 0.000 0.502 84 K N -0.945 119.428 120.400 -0.045 0.000 2.443 84 K HA 0.541 4.868 4.320 0.010 0.000 0.251 84 K C 0.917 177.467 176.600 -0.085 0.000 0.972 84 K CA -0.856 55.391 56.287 -0.067 0.000 0.833 84 K CB 1.608 34.054 32.500 -0.090 0.000 1.317 84 K HN 0.031 nan 8.250 nan 0.000 0.441 85 K N 1.135 121.480 120.400 -0.091 0.000 2.168 85 K HA 0.141 4.467 4.320 0.010 0.000 0.201 85 K C 1.051 177.581 176.600 -0.117 0.000 1.049 85 K CA 0.922 57.154 56.287 -0.091 0.000 0.974 85 K CB -0.111 32.337 32.500 -0.087 0.000 0.792 85 K HN 0.744 nan 8.250 nan 0.000 0.463 86 I N -2.561 117.916 120.570 -0.155 0.000 3.181 86 I HA 0.410 4.586 4.170 0.010 0.000 0.311 86 I C -0.909 175.107 176.117 -0.168 0.000 1.287 86 I CA -1.153 60.045 61.300 -0.170 0.000 0.958 86 I CB 1.818 39.650 38.000 -0.281 0.000 1.294 86 I HN -0.165 nan 8.210 nan 0.000 0.467 87 H N 2.381 121.461 119.070 0.017 0.000 2.629 87 H HA 0.189 4.751 4.556 0.010 0.000 0.357 87 H C -0.545 174.820 175.328 0.061 0.000 1.121 87 H CA 0.459 56.547 56.048 0.067 0.000 1.406 87 H CB 1.509 31.353 29.762 0.135 0.000 1.456 87 H HN 0.743 nan 8.280 nan 0.000 0.579 88 D N 0.501 121.035 120.400 0.223 0.000 2.440 88 D HA -0.007 4.639 4.640 0.010 0.000 0.216 88 D C -0.176 176.252 176.300 0.215 0.000 1.150 88 D CA -0.430 53.673 54.000 0.172 0.000 0.832 88 D CB -0.102 40.761 40.800 0.105 0.000 0.992 88 D HN 0.645 nan 8.370 nan 0.000 0.502 89 N N -1.570 117.275 118.700 0.242 0.000 2.329 89 N HA 0.621 5.367 4.740 0.010 0.000 0.282 89 N C -0.516 175.104 175.510 0.184 0.000 1.198 89 N CA -1.054 52.119 53.050 0.205 0.000 0.790 89 N CB 2.329 40.901 38.487 0.143 0.000 1.579 89 N HN -0.006 nan 8.380 nan 0.000 0.475 90 G N -0.414 108.504 108.800 0.196 0.000 2.725 90 G HA2 0.465 4.431 3.960 0.010 0.000 0.288 90 G HA3 0.465 4.431 3.960 0.010 0.000 0.288 90 G C -1.968 172.987 174.900 0.092 0.000 1.399 90 G CA -0.434 44.710 45.100 0.074 0.000 0.859 90 G HN 0.627 nan 8.290 nan 0.000 0.479 91 D N -0.008 120.404 120.400 0.020 0.000 2.402 91 D HA 0.364 5.011 4.640 0.010 0.000 0.252 91 D C -1.141 175.257 176.300 0.164 0.000 1.294 91 D CA -0.296 53.767 54.000 0.105 0.000 0.948 91 D CB 1.255 42.132 40.800 0.127 0.000 1.202 91 D HN 0.275 nan 8.370 nan 0.000 0.561 92 L N 5.216 126.534 121.223 0.159 0.000 2.301 92 L HA 0.416 4.762 4.340 0.010 0.000 0.278 92 L C 0.747 177.615 176.870 -0.004 0.000 1.022 92 L CA -0.411 54.542 54.840 0.189 0.000 0.854 92 L CB 0.772 43.008 42.059 0.296 0.000 1.226 92 L HN 0.538 nan 8.230 nan 0.000 0.429 93 H N 2.711 121.589 119.070 -0.319 0.000 2.476 93 H HA 0.175 4.737 4.556 0.011 0.000 0.292 93 H C -0.238 174.789 175.328 -0.502 0.000 1.019 93 H CA 0.274 55.917 56.048 -0.676 0.000 1.330 93 H CB 0.602 29.635 29.762 -1.215 0.000 1.451 93 H HN 0.586 nan 8.280 nan 0.000 0.535 94 H N 0.157 119.270 119.070 0.072 0.000 2.744 94 H HA 0.380 4.942 4.556 0.011 0.000 0.339 94 H C -1.105 174.218 175.328 -0.008 0.000 1.004 94 H CA -0.662 55.387 56.048 0.002 0.000 1.257 94 H CB 2.420 32.278 29.762 0.161 0.000 1.552 94 H HN -0.122 nan 8.280 nan 0.000 0.522 95 V N 4.719 124.549 119.914 -0.140 0.000 2.487 95 V HA 0.296 4.423 4.120 0.010 0.000 0.298 95 V C -0.442 175.421 176.094 -0.385 0.000 1.028 95 V CA -0.641 61.583 62.300 -0.127 0.000 0.860 95 V CB 1.258 33.040 31.823 -0.069 0.000 0.991 95 V HN 0.837 nan 8.190 nan 0.000 0.427 96 H N 4.258 123.393 119.070 0.108 0.000 2.865 96 H HA 0.435 4.997 4.556 0.011 0.000 0.362 96 H C -0.616 174.690 175.328 -0.035 0.000 1.114 96 H CA -0.615 55.519 56.048 0.143 0.000 1.208 96 H CB 2.341 32.307 29.762 0.339 0.000 1.727 96 H HN 0.596 nan 8.280 nan 0.000 0.534 97 M N 2.091 121.609 119.600 -0.138 0.000 2.274 97 M HA 0.229 4.715 4.480 0.010 0.000 0.344 97 M C 0.280 176.556 176.300 -0.039 0.000 1.161 97 M CA -0.446 54.580 55.300 -0.457 0.000 1.126 97 M CB 0.702 32.669 32.600 -1.056 0.000 1.522 97 M HN 0.671 nan 8.290 nan 0.000 0.461 98 S N 2.896 118.544 115.700 -0.087 0.000 2.568 98 S HA 0.319 4.795 4.470 0.010 0.000 0.282 98 S C -0.738 174.006 174.600 0.241 0.000 1.338 98 S CA -0.331 58.064 58.200 0.324 0.000 1.045 98 S CB 0.132 63.468 63.200 0.227 0.000 0.873 98 S HN 0.487 nan 8.310 nan 0.000 0.516 99 F N 0.316 120.415 119.950 0.249 0.000 2.492 99 F HA 0.538 5.071 4.527 0.010 0.000 0.327 99 F C 0.635 176.483 175.800 0.080 0.000 1.079 99 F CA -0.543 57.574 58.000 0.195 0.000 0.967 99 F CB 2.476 41.583 39.000 0.178 0.000 1.169 99 F HN 0.554 nan 8.300 nan 0.000 0.472 100 T N 2.277 116.950 114.554 0.199 0.000 2.890 100 T HA 0.285 4.642 4.350 0.010 0.000 0.295 100 T C -1.187 173.517 174.700 0.006 0.000 0.993 100 T CA -0.735 61.391 62.100 0.042 0.000 0.979 100 T CB 0.938 69.800 68.868 -0.009 0.000 0.967 100 T HN 0.603 nan 8.240 nan 0.000 0.441 101 D N 2.263 122.537 120.400 -0.209 0.000 2.800 101 D HA -0.167 4.479 4.640 0.010 0.000 0.232 101 D C 1.244 177.736 176.300 0.320 0.000 1.137 101 D CA 1.850 55.622 54.000 -0.379 0.000 0.718 101 D CB -1.403 39.270 40.800 -0.213 0.000 1.084 101 D HN 1.273 nan 8.370 nan 0.000 0.432 102 G N -0.713 108.416 108.800 0.547 0.000 2.162 102 G HA2 -0.362 3.604 3.960 0.010 0.000 0.260 102 G HA3 -0.362 3.604 3.960 0.010 0.000 0.260 102 G C 0.231 175.520 174.900 0.647 0.000 0.976 102 G CA 0.939 46.503 45.100 0.773 0.000 0.655 102 G HN 0.531 nan 8.290 nan 0.000 0.533 103 K N -0.834 119.811 120.400 0.407 0.000 2.435 103 K HA 0.587 4.913 4.320 0.010 0.000 0.251 103 K C -0.413 176.141 176.600 -0.077 0.000 0.954 103 K CA -1.186 55.164 56.287 0.105 0.000 0.820 103 K CB 1.409 33.974 32.500 0.108 0.000 1.292 103 K HN 0.005 nan 8.250 nan 0.000 0.436 104 Y N 1.807 121.941 120.300 -0.277 0.000 2.683 104 Y HA -0.080 4.477 4.550 0.010 0.000 0.340 104 Y C 1.157 176.958 175.900 -0.166 0.000 1.245 104 Y CA -0.005 57.883 58.100 -0.353 0.000 1.485 104 Y CB 0.257 38.561 38.460 -0.260 0.000 1.328 104 Y HN 0.732 nan 8.280 nan 0.000 0.603 105 D N -1.776 118.626 120.400 0.004 0.000 2.527 105 D HA 0.187 4.834 4.640 0.010 0.000 0.224 105 D C 1.356 177.589 176.300 -0.112 0.000 1.217 105 D CA 0.278 54.256 54.000 -0.036 0.000 0.819 105 D CB 0.078 40.864 40.800 -0.024 0.000 1.061 105 D HN 0.694 nan 8.370 nan 0.000 0.515 106 G N 0.909 109.603 108.800 -0.176 0.000 2.168 106 G HA2 -0.416 3.551 3.960 0.010 0.000 0.257 106 G HA3 -0.416 3.551 3.960 0.010 0.000 0.257 106 G C 1.131 175.831 174.900 -0.333 0.000 0.997 106 G CA 0.663 45.613 45.100 -0.250 0.000 0.708 106 G HN 0.430 nan 8.290 nan 0.000 0.520 107 R N -1.564 118.716 120.500 -0.366 0.000 2.064 107 R HA 0.329 4.675 4.340 0.010 0.000 0.221 107 R C 0.596 176.419 176.300 -0.795 0.000 1.136 107 R CA 1.086 56.849 56.100 -0.561 0.000 0.980 107 R CB 0.268 30.269 30.300 -0.498 0.000 0.876 107 R HN 0.483 nan 8.270 nan 0.000 0.437 108 Y N -0.673 119.352 120.300 -0.458 0.000 2.615 108 Y HA 0.466 5.022 4.550 0.010 0.000 0.341 108 Y C -0.799 174.545 175.900 -0.926 0.000 1.089 108 Y CA -1.192 56.513 58.100 -0.658 0.000 1.049 108 Y CB 2.008 40.033 38.460 -0.726 0.000 1.296 108 Y HN -0.177 nan 8.280 nan 0.000 0.470 109 L N 2.120 122.921 121.223 -0.705 0.000 2.362 109 L HA 0.604 4.950 4.340 0.010 0.000 0.271 109 L C -1.442 175.024 176.870 -0.674 0.000 1.002 109 L CA -0.525 53.874 54.840 -0.735 0.000 0.818 109 L CB 1.669 43.374 42.059 -0.590 0.000 1.298 109 L HN 0.461 nan 8.230 nan 0.000 0.420 110 F N 3.317 123.230 119.950 -0.061 0.000 2.546 110 F HA 0.803 5.336 4.527 0.010 0.000 0.320 110 F C 0.144 176.015 175.800 0.119 0.000 1.076 110 F CA -0.875 57.150 58.000 0.042 0.000 0.928 110 F CB 2.063 41.193 39.000 0.217 0.000 1.189 110 F HN 0.322 nan 8.300 nan 0.000 0.465 111 M N 1.078 120.905 119.600 0.378 0.000 2.643 111 M HA 0.462 4.949 4.480 0.010 0.000 0.276 111 M C -2.260 174.275 176.300 0.391 0.000 1.200 111 M CA -0.857 54.636 55.300 0.321 0.000 0.863 111 M CB 2.534 35.257 32.600 0.206 0.000 1.711 111 M HN 0.703 nan 8.290 nan 0.000 0.492 112 N N -0.426 118.472 118.700 0.330 0.000 2.459 112 N HA 0.697 5.443 4.740 0.010 0.000 0.288 112 N C -1.768 173.852 175.510 0.183 0.000 1.186 112 N CA -0.606 52.587 53.050 0.238 0.000 0.917 112 N CB 1.993 40.556 38.487 0.127 0.000 1.219 112 N HN 0.717 nan 8.380 nan 0.000 0.525 113 D N -0.615 119.718 120.400 -0.112 0.000 2.542 113 D HA 0.159 4.806 4.640 0.010 0.000 0.252 113 D C -0.068 176.093 176.300 -0.231 0.000 1.222 113 D CA -0.699 53.053 54.000 -0.414 0.000 0.895 113 D CB 1.626 41.655 40.800 -1.284 0.000 1.207 113 D HN 0.704 nan 8.370 nan 0.000 0.558 114 K N 2.875 123.203 120.400 -0.120 0.000 2.243 114 K HA 0.084 4.410 4.320 0.010 0.000 0.201 114 K C 1.543 178.094 176.600 -0.082 0.000 1.051 114 K CA 0.949 57.183 56.287 -0.088 0.000 0.970 114 K CB 0.147 32.595 32.500 -0.086 0.000 0.755 114 K HN 0.378 nan 8.250 nan 0.000 0.465 115 A N 1.547 124.308 122.820 -0.098 0.000 1.855 115 A HA -0.086 4.240 4.320 0.010 0.000 0.215 115 A C 1.285 178.770 177.584 -0.164 0.000 1.191 115 A CA 1.463 53.442 52.037 -0.096 0.000 0.613 115 A CB -0.224 18.727 19.000 -0.081 0.000 0.829 115 A HN 0.388 nan 8.150 nan 0.000 0.442 116 N N -0.701 117.842 118.700 -0.262 0.000 2.282 116 N HA 0.134 4.881 4.740 0.010 0.000 0.240 116 N C -0.855 174.528 175.510 -0.212 0.000 1.182 116 N CA 0.701 53.559 53.050 -0.319 0.000 0.874 116 N CB 0.643 38.739 38.487 -0.652 0.000 1.126 116 N HN 0.263 nan 8.380 nan 0.000 0.516 117 T N 0.871 115.321 114.554 -0.174 0.000 3.860 117 T HA -0.187 4.169 4.350 0.010 0.000 0.378 117 T C 0.058 174.697 174.700 -0.101 0.000 0.761 117 T CA 0.814 62.845 62.100 -0.115 0.000 2.004 117 T CB -1.102 67.720 68.868 -0.076 0.000 1.778 117 T HN 0.440 nan 8.240 nan 0.000 0.801 118 R N -0.501 119.920 120.500 -0.132 0.000 2.817 118 R HA 0.827 5.173 4.340 0.010 0.000 0.268 118 R C -0.493 175.843 176.300 0.059 0.000 1.027 118 R CA -1.144 54.935 56.100 -0.034 0.000 0.928 118 R CB 1.915 32.218 30.300 0.004 0.000 1.228 118 R HN 0.245 nan 8.270 nan 0.000 0.469 119 V N -2.140 117.907 119.914 0.221 0.000 2.962 119 V HA 0.994 5.120 4.120 0.010 0.000 0.313 119 V C -1.037 175.492 176.094 0.724 0.000 1.099 119 V CA -0.914 61.634 62.300 0.414 0.000 0.971 119 V CB 1.862 33.807 31.823 0.203 0.000 1.028 119 V HN 0.914 nan 8.190 nan 0.000 0.430 120 A N 2.923 126.144 122.820 0.668 0.000 2.435 120 A HA 0.912 5.238 4.320 0.010 0.000 0.304 120 A C -0.561 176.939 177.584 -0.139 0.000 1.064 120 A CA -0.981 51.212 52.037 0.260 0.000 0.727 120 A CB 1.995 20.949 19.000 -0.077 0.000 1.284 120 A HN 1.024 nan 8.150 nan 0.000 0.415 121 R N 1.429 121.468 120.500 -0.769 0.000 2.338 121 R HA 0.619 4.965 4.340 0.010 0.000 0.317 121 R C -1.588 174.401 176.300 -0.519 0.000 0.968 121 R CA -0.313 55.240 56.100 -0.911 0.000 0.849 121 R CB 1.411 30.776 30.300 -1.559 0.000 1.128 121 R HN 0.503 nan 8.270 nan 0.000 0.448 122 V N 5.181 124.857 119.914 -0.397 0.000 2.435 122 V HA 0.395 4.521 4.120 0.010 0.000 0.290 122 V C 0.172 176.155 176.094 -0.186 0.000 1.030 122 V CA -0.791 61.331 62.300 -0.296 0.000 0.881 122 V CB 1.637 33.273 31.823 -0.311 0.000 0.983 122 V HN 0.747 nan 8.190 nan 0.000 0.445 123 R N 2.631 123.050 120.500 -0.134 0.000 2.316 123 R HA 0.179 4.525 4.340 0.010 0.000 0.314 123 R C 0.696 176.830 176.300 -0.277 0.000 1.069 123 R CA -0.396 55.619 56.100 -0.142 0.000 0.959 123 R CB 0.438 30.672 30.300 -0.110 0.000 0.987 123 R HN 0.839 nan 8.270 nan 0.000 0.446 124 C N 1.868 120.943 119.300 -0.374 0.000 2.432 124 C HA -0.095 4.372 4.460 0.010 0.000 0.282 124 C C 2.096 176.889 174.990 -0.328 0.000 1.388 124 C CA 0.785 59.568 59.018 -0.391 0.000 1.777 124 C CB -0.721 26.744 27.740 -0.457 0.000 1.882 124 C HN 0.873 nan 8.230 nan 0.000 0.520 125 D N 1.499 121.706 120.400 -0.321 0.000 2.219 125 D HA -0.102 4.544 4.640 0.010 0.000 0.205 125 D C 1.517 177.620 176.300 -0.328 0.000 0.970 125 D CA 1.939 55.764 54.000 -0.291 0.000 0.851 125 D CB -0.482 40.158 40.800 -0.267 0.000 0.943 125 D HN 0.481 nan 8.370 nan 0.000 0.488 126 V N -4.415 115.280 119.914 -0.364 0.000 3.398 126 V HA 0.332 4.458 4.120 0.010 0.000 0.298 126 V C 0.633 176.535 176.094 -0.320 0.000 1.496 126 V CA -0.517 61.490 62.300 -0.488 0.000 1.044 126 V CB -0.011 31.306 31.823 -0.844 0.000 0.880 126 V HN -0.081 nan 8.190 nan 0.000 0.443 127 M N 0.929 120.383 119.600 -0.244 0.000 2.259 127 M HA -0.136 4.350 4.480 0.010 0.000 0.188 127 M C -0.404 175.803 176.300 -0.155 0.000 0.665 127 M CA 1.411 56.603 55.300 -0.180 0.000 0.464 127 M CB -1.859 30.676 32.600 -0.109 0.000 1.063 127 M HN 0.619 nan 8.290 nan 0.000 0.912 128 K N -0.503 119.798 120.400 -0.165 0.000 2.508 128 K HA 0.522 4.848 4.320 0.010 0.000 0.260 128 K C -0.029 176.431 176.600 -0.233 0.000 0.949 128 K CA -0.588 55.594 56.287 -0.175 0.000 0.834 128 K CB 1.440 33.951 32.500 0.018 0.000 1.365 128 K HN 0.137 nan 8.250 nan 0.000 0.437 129 T N 2.076 116.383 114.554 -0.412 0.000 2.902 129 T HA -0.004 4.353 4.350 0.010 0.000 0.301 129 T C 0.900 175.533 174.700 -0.113 0.000 1.012 129 T CA 0.295 62.176 62.100 -0.365 0.000 1.151 129 T CB 0.207 68.732 68.868 -0.570 0.000 0.946 129 T HN 0.624 nan 8.240 nan 0.000 0.542 130 D N 0.417 120.746 120.400 -0.117 0.000 2.498 130 D HA 0.275 4.921 4.640 0.010 0.000 0.223 130 D C 0.142 176.400 176.300 -0.071 0.000 1.125 130 D CA -0.309 53.673 54.000 -0.031 0.000 0.835 130 D CB 0.556 41.333 40.800 -0.038 0.000 1.086 130 D HN 0.554 nan 8.370 nan 0.000 0.510 131 A N 0.459 123.166 122.820 -0.188 0.000 2.566 131 A HA 0.626 4.953 4.320 0.010 0.000 0.297 131 A C -1.521 176.002 177.584 -0.102 0.000 1.059 131 A CA -0.696 51.241 52.037 -0.166 0.000 0.691 131 A CB 1.281 20.090 19.000 -0.318 0.000 1.282 131 A HN 0.150 nan 8.150 nan 0.000 0.401 132 I N 1.963 122.616 120.570 0.138 0.000 2.545 132 I HA 0.488 4.664 4.170 0.010 0.000 0.292 132 I C -1.325 175.009 176.117 0.362 0.000 1.040 132 I CA -0.874 60.594 61.300 0.280 0.000 1.068 132 I CB 2.087 40.176 38.000 0.147 0.000 1.251 132 I HN 0.563 nan 8.210 nan 0.000 0.424 133 L N 6.443 127.904 121.223 0.396 0.000 2.372 133 L HA 0.432 4.778 4.340 0.010 0.000 0.274 133 L C -0.354 176.557 176.870 0.068 0.000 0.988 133 L CA -0.149 54.772 54.840 0.135 0.000 0.833 133 L CB 1.584 43.519 42.059 -0.207 0.000 1.236 133 L HN 0.574 nan 8.230 nan 0.000 0.410 134 E N 5.473 125.702 120.200 0.047 0.000 2.194 134 E HA 0.264 4.621 4.350 0.010 0.000 0.284 134 E C -0.860 175.711 176.600 -0.048 0.000 1.035 134 E CA -0.638 55.773 56.400 0.019 0.000 0.836 134 E CB 0.739 30.470 29.700 0.052 0.000 1.070 134 E HN 0.548 nan 8.360 nan 0.000 0.401 135 I N 7.688 128.212 120.570 -0.076 0.000 2.325 135 I HA 0.227 4.403 4.170 0.010 0.000 0.291 135 I C -1.836 174.233 176.117 -0.080 0.000 1.019 135 I CA -2.384 58.848 61.300 -0.114 0.000 1.302 135 I CB 0.414 38.325 38.000 -0.148 0.000 1.401 135 I HN 0.443 nan 8.210 nan 0.000 0.485 136 P HA 0.298 nan 4.420 nan 0.000 0.276 136 P C 0.126 177.396 177.300 -0.051 0.000 1.261 136 P CA -0.044 63.025 63.100 -0.051 0.000 0.800 136 P CB 1.138 32.812 31.700 -0.043 0.000 1.066 137 N N -2.696 115.983 118.700 -0.034 0.000 2.124 137 N HA -0.240 4.506 4.740 0.010 0.000 0.216 137 N C 0.677 176.170 175.510 -0.029 0.000 0.473 137 N CA 2.339 55.373 53.050 -0.026 0.000 4.165 137 N CB -2.307 36.170 38.487 -0.017 0.000 0.769 137 N HN 0.713 nan 8.380 nan 0.000 0.240 138 A N 2.552 125.349 122.820 -0.039 0.000 2.448 138 A HA 0.420 4.747 4.320 0.010 0.000 0.239 138 A C 0.415 177.977 177.584 -0.037 0.000 1.080 138 A CA 0.652 52.668 52.037 -0.034 0.000 0.779 138 A CB 0.399 19.368 19.000 -0.052 0.000 1.026 138 A HN 0.225 nan 8.150 nan 0.000 0.499 139 K N -0.085 120.299 120.400 -0.027 0.000 2.482 139 K HA 0.528 4.854 4.320 0.010 0.000 0.251 139 K C -0.104 176.487 176.600 -0.016 0.000 0.936 139 K CA 0.239 56.508 56.287 -0.031 0.000 0.791 139 K CB 1.558 34.033 32.500 -0.042 0.000 1.213 139 K HN 1.956 nan 8.250 nan 0.000 0.428 140 G N 3.388 112.174 108.800 -0.024 0.000 2.473 140 G HA2 -0.185 3.781 3.960 0.010 0.000 0.289 140 G HA3 -0.185 3.781 3.960 0.010 0.000 0.289 140 G C -0.078 174.826 174.900 0.007 0.000 1.084 140 G CA -0.702 44.390 45.100 -0.013 0.000 1.215 140 G HN 0.418 nan 8.290 nan 0.000 0.527 141 I N 2.467 123.025 120.570 -0.021 0.000 2.576 141 I HA 0.121 4.297 4.170 0.010 0.000 0.288 141 I C 1.310 177.443 176.117 0.027 0.000 1.126 141 I CA 0.438 61.735 61.300 -0.005 0.000 1.362 141 I CB -0.129 37.844 38.000 -0.045 0.000 1.419 141 I HN 0.616 nan 8.210 nan 0.000 0.533 142 H N 5.632 124.685 119.070 -0.029 0.000 3.466 142 H HA 0.239 4.801 4.556 0.010 0.000 0.213 142 H C 0.837 176.297 175.328 0.220 0.000 1.290 142 H CA 0.194 56.220 56.048 -0.036 0.000 1.639 142 H CB 0.871 30.636 29.762 0.005 0.000 1.500 142 H HN 0.522 nan 8.280 nan 0.000 0.504 143 G N 1.669 110.459 108.800 -0.017 0.000 2.414 143 G HA2 0.296 4.262 3.960 0.010 0.000 0.236 143 G HA3 0.296 4.262 3.960 0.010 0.000 0.236 143 G C -0.264 174.671 174.900 0.059 0.000 1.293 143 G CA 0.083 45.149 45.100 -0.057 0.000 0.869 143 G HN 0.457 nan 8.290 nan 0.000 0.556 144 M N 2.451 122.071 119.600 0.035 0.000 2.307 144 M HA 0.426 4.912 4.480 0.010 0.000 0.279 144 M C -1.559 174.779 176.300 0.063 0.000 1.080 144 M CA -0.566 54.790 55.300 0.092 0.000 0.964 144 M CB 1.658 34.365 32.600 0.179 0.000 1.825 144 M HN 0.641 nan 8.290 nan 0.000 0.489 145 R N 4.409 124.920 120.500 0.017 0.000 2.643 145 R HA 0.657 5.003 4.340 0.010 0.000 0.269 145 R C -2.929 173.385 176.300 0.023 0.000 1.037 145 R CA -1.384 54.661 56.100 -0.092 0.000 0.894 145 R CB 2.978 33.171 30.300 -0.179 0.000 1.238 145 R HN 0.395 nan 8.270 nan 0.000 0.459 146 P HA 0.038 nan 4.420 nan 0.000 0.279 146 P C -1.245 176.028 177.300 -0.045 0.000 1.252 146 P CA -0.522 62.578 63.100 0.001 0.000 0.811 146 P CB 0.770 32.660 31.700 0.317 0.000 1.035 147 Q N 1.294 121.040 119.800 -0.089 0.000 2.337 147 Q HA 0.013 4.359 4.340 0.010 0.000 0.270 147 Q C 0.615 176.489 176.000 -0.209 0.000 1.002 147 Q CA 0.231 56.052 55.803 0.031 0.000 0.888 147 Q CB 0.497 29.290 28.738 0.090 0.000 1.222 147 Q HN 0.312 nan 8.270 nan 0.000 0.400 148 K N 3.377 123.561 120.400 -0.360 0.000 2.211 148 K HA 0.045 4.372 4.320 0.010 0.000 0.201 148 K C 0.091 176.715 176.600 0.041 0.000 1.052 148 K CA 0.394 56.315 56.287 -0.611 0.000 0.973 148 K CB 0.478 32.498 32.500 -0.799 0.000 0.766 148 K HN 0.586 nan 8.250 nan 0.000 0.466 149 W N 1.885 123.154 121.300 -0.052 0.000 2.998 149 W HA 0.186 4.852 4.660 0.010 0.000 0.335 149 W C -2.708 173.840 176.519 0.048 0.000 1.110 149 W CA -2.176 55.197 57.345 0.047 0.000 1.230 149 W CB 1.708 31.215 29.460 0.078 0.000 1.405 149 W HN -0.212 nan 8.180 nan 0.000 0.493 150 P HA -0.056 nan 4.420 nan 0.000 0.229 150 P C -0.099 176.893 177.300 -0.512 0.000 1.160 150 P CA 1.187 63.700 63.100 -0.978 0.000 0.777 150 P CB 0.947 32.321 31.700 -0.545 0.000 0.814 151 R N -2.996 117.390 120.500 -0.191 0.000 2.741 151 R HA 0.456 4.802 4.340 0.010 0.000 0.274 151 R C -0.910 175.401 176.300 0.018 0.000 1.029 151 R CA -0.755 55.320 56.100 -0.042 0.000 0.880 151 R CB -0.230 30.037 30.300 -0.055 0.000 1.264 151 R HN -0.407 nan 8.270 nan 0.000 0.465 152 S N 1.057 116.821 115.700 0.108 0.000 4.120 152 S HA 0.048 4.524 4.470 0.010 0.000 0.215 152 S C 0.328 174.885 174.600 -0.072 0.000 1.347 152 S CA -0.338 57.905 58.200 0.071 0.000 0.889 152 S CB -0.766 62.605 63.200 0.286 0.000 1.585 152 S HN 0.537 nan 8.310 nan 0.000 0.447 153 N N 1.013 119.595 118.700 -0.196 0.000 2.188 153 N HA -0.031 4.715 4.740 0.010 0.000 0.184 153 N C -0.297 174.847 175.510 -0.611 0.000 1.018 153 N CA 1.030 53.839 53.050 -0.401 0.000 0.858 153 N CB 0.079 38.250 38.487 -0.526 0.000 0.989 153 N HN 0.531 nan 8.380 nan 0.000 0.426 154 Y N -0.392 119.660 120.300 -0.415 0.000 2.446 154 Y HA 0.518 5.074 4.550 0.010 0.000 0.338 154 Y C -0.323 175.058 175.900 -0.865 0.000 1.055 154 Y CA -1.241 56.405 58.100 -0.756 0.000 1.101 154 Y CB 1.514 39.276 38.460 -1.163 0.000 1.221 154 Y HN -0.335 nan 8.280 nan 0.000 0.460 155 V N 3.737 123.202 119.914 -0.749 0.000 2.417 155 V HA 0.335 4.461 4.120 0.010 0.000 0.291 155 V C -0.735 174.873 176.094 -0.810 0.000 1.024 155 V CA -1.007 60.842 62.300 -0.751 0.000 0.861 155 V CB 0.779 32.168 31.823 -0.724 0.000 0.985 155 V HN 0.513 nan 8.190 nan 0.000 0.436 156 F N 4.089 123.819 119.950 -0.366 0.000 2.404 156 F HA 0.680 5.213 4.527 0.010 0.000 0.339 156 F C 0.494 176.050 175.800 -0.408 0.000 1.105 156 F CA -0.500 57.194 58.000 -0.510 0.000 1.087 156 F CB 1.402 40.251 39.000 -0.251 0.000 1.143 156 F HN 0.668 nan 8.300 nan 0.000 0.491 157 C N 0.880 119.945 119.300 -0.392 0.000 2.985 157 C HA 0.603 5.070 4.460 0.010 0.000 0.314 157 C C -1.172 173.716 174.990 -0.169 0.000 1.215 157 C CA -1.259 57.640 59.018 -0.198 0.000 1.414 157 C CB 0.916 28.550 27.740 -0.177 0.000 1.842 157 C HN 0.924 nan 8.230 nan 0.000 0.477 158 N N 0.144 118.863 118.700 0.032 0.000 2.430 158 N HA 0.578 5.324 4.740 0.010 0.000 0.292 158 N C 0.033 175.601 175.510 0.095 0.000 1.051 158 N CA -0.252 52.881 53.050 0.138 0.000 0.917 158 N CB 1.534 40.158 38.487 0.228 0.000 1.164 158 N HN 1.084 nan 8.380 nan 0.000 0.484 159 G N 0.717 109.571 108.800 0.089 0.000 2.448 159 G HA2 0.003 3.970 3.960 0.010 0.000 0.309 159 G HA3 0.003 3.970 3.960 0.010 0.000 0.309 159 G C 0.613 175.560 174.900 0.079 0.000 1.027 159 G CA -0.261 44.876 45.100 0.062 0.000 1.104 159 G HN 0.713 nan 8.290 nan 0.000 0.428 160 E N 1.949 122.199 120.200 0.084 0.000 2.106 160 E HA -0.097 4.260 4.350 0.010 0.000 0.192 160 E C -0.027 176.586 176.600 0.021 0.000 0.984 160 E CA 0.610 57.048 56.400 0.064 0.000 0.806 160 E CB 0.208 29.956 29.700 0.080 0.000 0.750 160 E HN 0.437 nan 8.360 nan 0.000 0.458 161 D N 1.293 121.708 120.400 0.024 0.000 2.210 161 D HA 0.121 4.767 4.640 0.010 0.000 0.249 161 D C -0.759 175.545 176.300 0.007 0.000 1.078 161 D CA -0.069 53.941 54.000 0.017 0.000 0.875 161 D CB 1.468 42.269 40.800 0.003 0.000 1.175 161 D HN 0.024 nan 8.370 nan 0.000 0.440 162 E N 0.490 120.707 120.200 0.028 0.000 2.194 162 E HA 0.588 4.944 4.350 0.010 0.000 0.284 162 E C -0.523 175.974 176.600 -0.171 0.000 1.035 162 E CA -0.491 55.944 56.400 0.059 0.000 0.836 162 E CB 1.313 31.160 29.700 0.245 0.000 1.070 162 E HN 0.443 nan 8.360 nan 0.000 0.401 163 A N 3.901 126.556 122.820 -0.275 0.000 2.610 163 A HA 0.700 5.026 4.320 0.010 0.000 0.291 163 A C -2.799 174.584 177.584 -0.334 0.000 1.086 163 A CA -1.697 49.980 52.037 -0.600 0.000 0.677 163 A CB 1.098 19.884 19.000 -0.358 0.000 1.278 163 A HN 0.408 nan 8.150 nan 0.000 0.414 164 P HA 0.379 nan 4.420 nan 0.000 0.275 164 P C 0.695 177.968 177.300 -0.046 0.000 1.228 164 P CA -0.333 62.728 63.100 -0.066 0.000 0.786 164 P CB 0.527 32.219 31.700 -0.013 0.000 0.927 165 L N 1.658 122.881 121.223 0.001 0.000 2.046 165 L HA -0.093 4.254 4.340 0.010 0.000 0.208 165 L C 0.911 177.780 176.870 -0.001 0.000 1.077 165 L CA 1.341 56.183 54.840 0.003 0.000 0.747 165 L CB -0.332 41.742 42.059 0.025 0.000 0.896 165 L HN 0.162 nan 8.230 nan 0.000 0.432 166 V N 1.043 120.961 119.914 0.007 0.000 2.222 166 V HA 0.077 4.203 4.120 0.010 0.000 0.253 166 V C 0.045 176.138 176.094 -0.002 0.000 1.210 166 V CA -0.267 62.037 62.300 0.007 0.000 1.079 166 V CB 0.043 31.877 31.823 0.017 0.000 1.265 166 V HN 0.245 nan 8.190 nan 0.000 0.494 167 N N 3.738 122.428 118.700 -0.016 0.000 3.124 167 N HA 0.072 4.818 4.740 0.010 0.000 0.284 167 N C 0.566 176.069 175.510 -0.012 0.000 1.209 167 N CA -0.279 52.753 53.050 -0.029 0.000 1.149 167 N CB 0.291 38.746 38.487 -0.053 0.000 1.434 167 N HN 0.694 nan 8.380 nan 0.000 0.529 168 D N 0.256 120.657 120.400 0.001 0.000 2.501 168 D HA 0.220 4.867 4.640 0.010 0.000 0.224 168 D C 1.164 177.472 176.300 0.013 0.000 1.202 168 D CA 0.090 54.094 54.000 0.007 0.000 0.829 168 D CB -0.191 40.615 40.800 0.010 0.000 1.023 168 D HN 0.361 nan 8.370 nan 0.000 0.499 169 G N 0.895 109.704 108.800 0.016 0.000 2.284 169 G HA2 -0.397 3.569 3.960 0.010 0.000 0.230 169 G HA3 -0.397 3.569 3.960 0.010 0.000 0.230 169 G C 1.364 176.283 174.900 0.032 0.000 1.021 169 G CA 0.787 45.901 45.100 0.024 0.000 0.619 169 G HN 0.723 nan 8.290 nan 0.000 0.510 170 S N -0.585 115.133 115.700 0.030 0.000 2.419 170 S HA 0.051 4.528 4.470 0.010 0.000 0.233 170 S C 1.905 176.531 174.600 0.044 0.000 1.016 170 S CA 2.415 60.635 58.200 0.033 0.000 0.974 170 S CB -0.162 63.054 63.200 0.028 0.000 0.786 170 S HN 1.476 nan 8.310 nan 0.000 0.492 171 T N 0.565 115.154 114.554 0.058 0.000 3.043 171 T HA 0.317 4.673 4.350 0.010 0.000 0.272 171 T C 1.446 176.229 174.700 0.139 0.000 0.990 171 T CA 0.164 62.316 62.100 0.086 0.000 0.897 171 T CB -0.406 68.516 68.868 0.091 0.000 1.111 171 T HN 0.570 nan 8.240 nan 0.000 0.529 172 M N 0.823 120.492 119.600 0.115 0.000 2.460 172 M HA 0.070 4.556 4.480 0.010 0.000 0.263 172 M C 1.671 178.110 176.300 0.231 0.000 1.071 172 M CA 1.864 57.254 55.300 0.149 0.000 1.096 172 M CB -0.852 31.791 32.600 0.073 0.000 1.408 172 M HN 0.226 nan 8.290 nan 0.000 0.463 173 T N -3.555 111.091 114.554 0.153 0.000 3.086 173 T HA 0.115 4.472 4.350 0.010 0.000 0.250 173 T C 0.210 174.934 174.700 0.041 0.000 1.074 173 T CA -0.228 61.935 62.100 0.105 0.000 0.988 173 T CB -0.165 68.738 68.868 0.058 0.000 0.988 173 T HN 0.322 nan 8.240 nan 0.000 0.530 174 D N 1.508 121.946 120.400 0.064 0.000 2.443 174 D HA 0.276 4.923 4.640 0.010 0.000 0.221 174 D C 1.045 177.232 176.300 -0.187 0.000 1.097 174 D CA -0.579 53.405 54.000 -0.027 0.000 0.865 174 D CB 1.420 42.238 40.800 0.028 0.000 1.034 174 D HN -0.033 nan 8.370 nan 0.000 0.511 175 V N 3.626 123.283 119.914 -0.429 0.000 3.141 175 V HA -0.090 4.036 4.120 0.010 0.000 0.265 175 V C 2.296 178.163 176.094 -0.380 0.000 1.126 175 V CA 1.436 63.222 62.300 -0.855 0.000 1.141 175 V CB -0.458 30.980 31.823 -0.641 0.000 0.743 175 V HN 0.637 nan 8.190 nan 0.000 0.492 176 A N 0.943 123.663 122.820 -0.167 0.000 2.015 176 A HA -0.159 4.167 4.320 0.010 0.000 0.219 176 A C 2.386 179.984 177.584 0.022 0.000 1.163 176 A CA 1.988 53.991 52.037 -0.057 0.000 0.646 176 A CB -0.594 18.384 19.000 -0.036 0.000 0.806 176 A HN 0.616 nan 8.150 nan 0.000 0.448 177 T N -3.975 110.626 114.554 0.078 0.000 3.100 177 T HA 0.173 4.529 4.350 0.010 0.000 0.253 177 T C 0.396 175.267 174.700 0.285 0.000 1.118 177 T CA -0.208 61.989 62.100 0.161 0.000 1.058 177 T CB -0.418 68.548 68.868 0.164 0.000 0.953 177 T HN 0.207 nan 8.240 nan 0.000 0.515 178 Y N 2.328 122.640 120.300 0.020 0.000 2.314 178 Y HA 0.540 5.096 4.550 0.010 0.000 0.334 178 Y C 0.692 176.610 175.900 0.031 0.000 1.266 178 Y CA -2.084 56.031 58.100 0.024 0.000 1.391 178 Y CB 0.741 39.214 38.460 0.021 0.000 1.306 178 Y HN 0.203 nan 8.280 nan 0.000 0.558 179 V N -0.783 119.241 119.914 0.184 0.000 3.232 179 V HA 0.606 4.733 4.120 0.010 0.000 0.303 179 V C -1.014 175.146 176.094 0.109 0.000 1.311 179 V CA -1.318 61.064 62.300 0.136 0.000 1.061 179 V CB 2.402 34.293 31.823 0.113 0.000 1.085 179 V HN 0.778 nan 8.190 nan 0.000 0.447 180 N N 0.064 118.839 118.700 0.124 0.000 2.402 180 N HA 0.825 5.571 4.740 0.010 0.000 0.294 180 N C -1.718 173.880 175.510 0.147 0.000 1.203 180 N CA -0.456 52.665 53.050 0.119 0.000 0.838 180 N CB 2.678 41.239 38.487 0.124 0.000 1.306 180 N HN 0.622 nan 8.380 nan 0.000 0.510 181 I N 1.222 121.874 120.570 0.137 0.000 2.534 181 I HA 0.267 4.443 4.170 0.010 0.000 0.288 181 I C -1.197 175.010 176.117 0.150 0.000 1.077 181 I CA -0.446 60.932 61.300 0.130 0.000 1.051 181 I CB 1.730 39.762 38.000 0.054 0.000 1.234 181 I HN 0.395 nan 8.210 nan 0.000 0.425 182 F N 5.830 125.779 119.950 -0.002 0.000 2.420 182 F HA 0.697 5.230 4.527 0.010 0.000 0.342 182 F C -0.091 175.611 175.800 -0.164 0.000 1.113 182 F CA -0.015 57.904 58.000 -0.135 0.000 1.059 182 F CB 1.218 39.988 39.000 -0.384 0.000 1.128 182 F HN 0.373 nan 8.300 nan 0.000 0.475 183 T N 5.364 119.416 114.554 -0.837 0.000 2.856 183 T HA 0.727 5.083 4.350 0.010 0.000 0.283 183 T C -0.856 173.152 174.700 -1.152 0.000 1.008 183 T CA -0.552 61.091 62.100 -0.762 0.000 0.997 183 T CB 1.381 69.943 68.868 -0.511 0.000 0.992 183 T HN 0.762 nan 8.240 nan 0.000 0.454 184 A N 2.902 125.000 122.820 -1.203 0.000 2.258 184 A HA 0.689 5.015 4.320 0.010 0.000 0.316 184 A C -0.252 176.738 177.584 -0.989 0.000 1.279 184 A CA -0.565 50.647 52.037 -1.375 0.000 0.876 184 A CB 0.428 17.898 19.000 -2.550 0.000 1.170 184 A HN 0.677 nan 8.150 nan 0.000 0.520 185 V N 3.032 122.459 119.914 -0.812 0.000 2.465 185 V HA 0.151 4.277 4.120 0.010 0.000 0.279 185 V C 0.272 176.027 176.094 -0.566 0.000 1.045 185 V CA -0.657 61.206 62.300 -0.729 0.000 0.938 185 V CB 1.528 32.775 31.823 -0.960 0.000 0.986 185 V HN 0.924 nan 8.190 nan 0.000 0.467 186 D N 3.941 124.070 120.400 -0.452 0.000 2.363 186 D HA 0.143 4.789 4.640 0.010 0.000 0.263 186 D C 0.922 177.053 176.300 -0.282 0.000 1.258 186 D CA 0.356 54.150 54.000 -0.344 0.000 0.907 186 D CB 1.704 42.355 40.800 -0.249 0.000 1.107 186 D HN 0.641 nan 8.370 nan 0.000 0.495 187 A N 4.304 126.976 122.820 -0.247 0.000 2.119 187 A HA -0.103 4.223 4.320 0.010 0.000 0.217 187 A C 1.631 179.268 177.584 0.089 0.000 1.153 187 A CA 0.767 52.777 52.037 -0.045 0.000 0.692 187 A CB 0.153 19.058 19.000 -0.159 0.000 0.799 187 A HN 0.557 nan 8.150 nan 0.000 0.458 188 D N -0.160 120.241 120.400 0.002 0.000 2.197 188 D HA -0.020 4.626 4.640 0.010 0.000 0.212 188 D C 1.646 177.963 176.300 0.028 0.000 0.963 188 D CA 0.992 55.006 54.000 0.023 0.000 0.864 188 D CB -0.175 40.623 40.800 -0.004 0.000 1.009 188 D HN 0.398 nan 8.370 nan 0.000 0.479 189 K N -0.316 120.087 120.400 0.005 0.000 2.365 189 K HA -0.038 4.288 4.320 0.010 0.000 0.197 189 K C 0.329 176.992 176.600 0.104 0.000 1.042 189 K CA -0.199 56.100 56.287 0.021 0.000 0.987 189 K CB 0.633 33.115 32.500 -0.029 0.000 0.779 189 K HN 0.228 nan 8.250 nan 0.000 0.484 190 W N 2.646 123.847 121.300 -0.165 0.000 6.111 190 W HA -0.265 4.401 4.660 0.010 0.000 0.409 190 W C -1.146 175.292 176.519 -0.135 0.000 1.586 190 W CA 0.683 57.928 57.345 -0.167 0.000 1.027 190 W CB -0.789 28.582 29.460 -0.147 0.000 2.784 190 W HN 0.153 nan 8.180 nan 0.000 1.485 191 E N -0.239 119.817 120.200 -0.240 0.000 2.359 191 E HA 0.410 4.767 4.350 0.010 0.000 0.266 191 E C -0.261 176.125 176.600 -0.357 0.000 0.920 191 E CA -0.998 55.253 56.400 -0.249 0.000 0.788 191 E CB 1.807 31.421 29.700 -0.143 0.000 1.279 191 E HN -0.139 nan 8.360 nan 0.000 0.438 192 V N 1.517 121.241 119.914 -0.317 0.000 2.637 192 V HA 0.091 4.218 4.120 0.010 0.000 0.296 192 V C 1.049 176.961 176.094 -0.303 0.000 1.046 192 V CA 0.798 62.885 62.300 -0.355 0.000 1.066 192 V CB 0.984 32.634 31.823 -0.289 0.000 0.968 192 V HN 0.907 nan 8.190 nan 0.000 0.483 193 A N 5.854 128.437 122.820 -0.394 0.000 1.862 193 A HA 0.293 4.619 4.320 0.010 0.000 0.211 193 A C 0.604 178.068 177.584 -0.201 0.000 1.220 193 A CA 0.735 52.584 52.037 -0.313 0.000 0.616 193 A CB 0.305 19.059 19.000 -0.411 0.000 0.878 193 A HN 0.932 nan 8.150 nan 0.000 0.453 194 W N -2.872 118.293 121.300 -0.226 0.000 2.989 194 W HA 0.665 5.332 4.660 0.011 0.000 0.344 194 W C -1.692 174.670 176.519 -0.262 0.000 1.233 194 W CA -0.742 56.451 57.345 -0.253 0.000 1.187 194 W CB 0.477 29.785 29.460 -0.254 0.000 1.443 194 W HN 0.124 nan 8.180 nan 0.000 0.573 195 Q N 0.957 120.886 119.800 0.214 0.000 2.389 195 Q HA 0.594 4.941 4.340 0.010 0.000 0.277 195 Q C -1.288 174.816 176.000 0.174 0.000 1.082 195 Q CA -1.026 54.850 55.803 0.122 0.000 0.810 195 Q CB 3.568 32.307 28.738 0.002 0.000 1.374 195 Q HN 0.286 nan 8.270 nan 0.000 0.422 196 V N 1.785 121.824 119.914 0.209 0.000 2.487 196 V HA 0.363 4.489 4.120 0.010 0.000 0.298 196 V C -0.540 175.691 176.094 0.228 0.000 1.028 196 V CA -1.036 61.387 62.300 0.206 0.000 0.860 196 V CB 1.579 33.589 31.823 0.311 0.000 0.991 196 V HN 0.623 nan 8.190 nan 0.000 0.427 197 K N 3.418 123.932 120.400 0.191 0.000 2.350 197 K HA 0.599 4.926 4.320 0.010 0.000 0.279 197 K C -0.327 176.423 176.600 0.251 0.000 1.027 197 K CA -0.257 56.146 56.287 0.193 0.000 0.969 197 K CB 1.490 34.082 32.500 0.152 0.000 0.954 197 K HN 0.652 nan 8.250 nan 0.000 0.474 198 V N -1.536 118.531 119.914 0.256 0.000 3.130 198 V HA 0.461 4.587 4.120 0.010 0.000 0.310 198 V C -0.445 175.802 176.094 0.255 0.000 1.158 198 V CA -1.055 61.435 62.300 0.317 0.000 1.029 198 V CB 2.107 34.147 31.823 0.362 0.000 1.057 198 V HN 0.642 nan 8.190 nan 0.000 0.436 199 S N 1.594 117.453 115.700 0.265 0.000 2.513 199 S HA 0.753 5.229 4.470 0.010 0.000 0.276 199 S C 0.496 175.257 174.600 0.269 0.000 1.254 199 S CA 0.475 58.741 58.200 0.111 0.000 1.053 199 S CB 0.528 63.595 63.200 -0.223 0.000 0.958 199 S HN 2.305 nan 8.310 nan 0.000 0.491 200 G N 3.392 112.300 108.800 0.180 0.000 2.860 200 G HA2 -0.222 3.744 3.960 0.010 0.000 0.553 200 G HA3 -0.222 3.744 3.960 0.010 0.000 0.553 200 G C -0.266 174.702 174.900 0.113 0.000 1.439 200 G CA -0.164 45.026 45.100 0.150 0.000 0.879 200 G HN 0.978 nan 8.290 nan 0.000 0.545 201 N N -1.454 117.225 118.700 -0.036 0.000 2.443 201 N HA 0.699 5.445 4.740 0.010 0.000 0.294 201 N C -0.077 175.420 175.510 -0.023 0.000 1.289 201 N CA -0.890 52.119 53.050 -0.068 0.000 0.966 201 N CB 0.815 39.163 38.487 -0.232 0.000 1.122 201 N HN 0.697 nan 8.380 nan 0.000 0.569 202 L N -0.342 120.882 121.223 0.001 0.000 2.439 202 L HA 0.295 4.641 4.340 0.010 0.000 0.270 202 L C -0.243 176.719 176.870 0.154 0.000 0.972 202 L CA -0.660 54.248 54.840 0.113 0.000 0.836 202 L CB 1.698 43.887 42.059 0.216 0.000 1.255 202 L HN 0.715 nan 8.230 nan 0.000 0.404 203 D N 1.635 122.161 120.400 0.210 0.000 2.541 203 D HA 0.141 4.788 4.640 0.010 0.000 0.261 203 D C 0.061 176.592 176.300 0.386 0.000 1.415 203 D CA 0.611 54.849 54.000 0.396 0.000 1.059 203 D CB 0.501 41.580 40.800 0.464 0.000 0.971 203 D HN 0.544 nan 8.370 nan 0.000 0.308 204 N N -1.594 117.236 118.700 0.216 0.000 2.459 204 N HA 0.526 5.272 4.740 0.010 0.000 0.288 204 N C -0.801 174.788 175.510 0.131 0.000 1.186 204 N CA -0.697 52.413 53.050 0.102 0.000 0.917 204 N CB 2.269 40.760 38.487 0.007 0.000 1.219 204 N HN 0.443 nan 8.380 nan 0.000 0.525 205 C N -1.268 118.094 119.300 0.103 0.000 3.236 205 C HA 0.796 5.263 4.460 0.010 0.000 0.312 205 C C -1.252 173.823 174.990 0.142 0.000 1.374 205 C CA -0.699 58.420 59.018 0.169 0.000 1.455 205 C CB 1.768 29.643 27.740 0.225 0.000 1.834 205 C HN 0.702 nan 8.230 nan 0.000 0.460 206 D N -0.825 119.679 120.400 0.173 0.000 2.768 206 D HA 0.770 5.416 4.640 0.010 0.000 0.327 206 D C -1.087 175.091 176.300 -0.204 0.000 1.302 206 D CA 0.132 54.201 54.000 0.115 0.000 0.897 206 D CB 2.099 43.083 40.800 0.307 0.000 1.420 206 D HN 1.272 nan 8.370 nan 0.000 0.494 207 A N 0.394 123.111 122.820 -0.172 0.000 2.423 207 A HA 0.630 4.956 4.320 0.010 0.000 0.304 207 A C -0.390 177.174 177.584 -0.032 0.000 1.104 207 A CA -0.544 51.258 52.037 -0.392 0.000 0.757 207 A CB 1.197 20.126 19.000 -0.118 0.000 1.313 207 A HN 0.563 nan 8.150 nan 0.000 0.423 208 D N -0.644 119.833 120.400 0.129 0.000 2.414 208 D HA 0.069 4.715 4.640 0.010 0.000 0.259 208 D C -0.221 176.135 176.300 0.094 0.000 1.269 208 D CA 0.197 54.425 54.000 0.379 0.000 1.028 208 D CB 0.206 41.361 40.800 0.593 0.000 1.093 208 D HN 0.470 nan 8.370 nan 0.000 0.545 209 Y N -1.331 119.045 120.300 0.127 0.000 2.468 209 Y HA 0.168 4.724 4.550 0.010 0.000 0.268 209 Y C 1.222 177.060 175.900 -0.104 0.000 1.177 209 Y CA -0.055 58.078 58.100 0.054 0.000 1.265 209 Y CB 0.482 38.936 38.460 -0.010 0.000 1.103 209 Y HN 0.374 nan 8.280 nan 0.000 0.522 210 E N -1.168 119.050 120.200 0.029 0.000 2.562 210 E HA 0.207 4.564 4.350 0.010 0.000 0.214 210 E C 1.371 178.020 176.600 0.082 0.000 0.979 210 E CA 0.411 56.710 56.400 -0.168 0.000 1.002 210 E CB 0.826 30.426 29.700 -0.166 0.000 1.048 210 E HN 0.399 nan 8.360 nan 0.000 0.488 211 G N 2.548 111.448 108.800 0.167 0.000 2.153 211 G HA2 -0.354 3.612 3.960 0.010 0.000 0.252 211 G HA3 -0.354 3.612 3.960 0.010 0.000 0.252 211 G C 0.918 175.812 174.900 -0.010 0.000 0.994 211 G CA 0.891 46.093 45.100 0.170 0.000 0.698 211 G HN 0.220 nan 8.290 nan 0.000 0.521 212 K N -1.692 118.562 120.400 -0.242 0.000 2.211 212 K HA 0.177 4.503 4.320 0.010 0.000 0.201 212 K C 0.507 176.563 176.600 -0.906 0.000 1.052 212 K CA 0.857 56.691 56.287 -0.756 0.000 0.973 212 K CB 0.212 31.988 32.500 -1.206 0.000 0.766 212 K HN 0.557 nan 8.250 nan 0.000 0.466 213 W N -0.219 121.108 121.300 0.045 0.000 3.033 213 W HA 0.561 5.227 4.660 0.010 0.000 0.336 213 W C -0.850 175.390 176.519 -0.466 0.000 1.173 213 W CA -1.158 56.147 57.345 -0.066 0.000 1.185 213 W CB 1.205 30.823 29.460 0.263 0.000 1.425 213 W HN -0.224 nan 8.180 nan 0.000 0.536 214 A N 1.728 124.339 122.820 -0.348 0.000 2.350 214 A HA 1.026 5.352 4.320 0.010 0.000 0.318 214 A C -1.702 175.546 177.584 -0.560 0.000 1.132 214 A CA -0.736 50.786 52.037 -0.859 0.000 0.811 214 A CB 0.973 19.364 19.000 -1.014 0.000 1.313 214 A HN 0.689 nan 8.150 nan 0.000 0.454 215 F N -1.199 118.763 119.950 0.020 0.000 2.622 215 F HA 0.657 5.190 4.527 0.010 0.000 0.318 215 F C -0.278 175.541 175.800 0.032 0.000 1.135 215 F CA -0.778 57.194 58.000 -0.047 0.000 1.015 215 F CB 1.284 40.251 39.000 -0.055 0.000 1.275 215 F HN 0.326 nan 8.300 nan 0.000 0.457 216 S N 0.353 116.167 115.700 0.190 0.000 2.542 216 S HA 0.755 5.232 4.470 0.010 0.000 0.293 216 S C -0.464 174.217 174.600 0.135 0.000 1.089 216 S CA -0.926 57.396 58.200 0.204 0.000 0.961 216 S CB 2.036 65.402 63.200 0.276 0.000 1.062 216 S HN 0.823 nan 8.310 nan 0.000 0.483 217 T N -0.350 114.285 114.554 0.135 0.000 2.904 217 T HA 0.605 4.961 4.350 0.010 0.000 0.290 217 T C 0.061 174.794 174.700 0.055 0.000 1.018 217 T CA -0.668 61.487 62.100 0.090 0.000 1.075 217 T CB 1.239 70.168 68.868 0.100 0.000 0.986 217 T HN 0.424 nan 8.240 nan 0.000 0.523 218 S N 0.846 116.498 115.700 -0.080 0.000 2.561 218 S HA 0.431 4.907 4.470 0.010 0.000 0.303 218 S C -0.029 174.480 174.600 -0.151 0.000 1.110 218 S CA -0.924 57.136 58.200 -0.234 0.000 1.034 218 S CB 0.498 63.284 63.200 -0.690 0.000 1.010 218 S HN 0.833 nan 8.310 nan 0.000 0.482 219 Y N 3.579 123.846 120.300 -0.055 0.000 2.497 219 Y HA 0.527 5.084 4.550 0.011 0.000 0.265 219 Y C 0.687 176.562 175.900 -0.042 0.000 1.111 219 Y CA -0.163 57.916 58.100 -0.035 0.000 1.288 219 Y CB -0.016 38.452 38.460 0.013 0.000 1.082 219 Y HN 0.549 nan 8.280 nan 0.000 0.536 220 N N 1.062 119.603 118.700 -0.265 0.000 2.818 220 N HA 0.088 4.834 4.740 0.010 0.000 0.301 220 N C 0.616 176.062 175.510 -0.107 0.000 1.821 220 N CA 0.343 53.306 53.050 -0.146 0.000 0.930 220 N CB 0.216 38.558 38.487 -0.242 0.000 1.263 220 N HN 0.347 nan 8.380 nan 0.000 0.487 221 S N -0.092 115.557 115.700 -0.084 0.000 2.423 221 S HA -0.110 4.366 4.470 0.010 0.000 0.231 221 S C 1.309 175.921 174.600 0.019 0.000 1.014 221 S CA 0.814 59.008 58.200 -0.010 0.000 0.965 221 S CB -0.116 63.099 63.200 0.026 0.000 0.785 221 S HN 0.370 nan 8.310 nan 0.000 0.495 222 E N 1.152 121.355 120.200 0.005 0.000 2.204 222 E HA 0.083 4.440 4.350 0.010 0.000 0.195 222 E C 0.428 177.027 176.600 -0.002 0.000 0.990 222 E CA 0.684 57.086 56.400 0.004 0.000 0.821 222 E CB -0.391 29.314 29.700 0.009 0.000 0.750 222 E HN 0.257 nan 8.360 nan 0.000 0.477 223 M N -0.569 119.032 119.600 0.002 0.000 2.360 223 M HA -0.134 4.352 4.480 0.010 0.000 0.202 223 M C 0.307 176.603 176.300 -0.008 0.000 0.390 223 M CA 1.041 56.343 55.300 0.004 0.000 0.470 223 M CB -2.672 29.925 32.600 -0.005 0.000 1.637 223 M HN 0.142 nan 8.290 nan 0.000 0.885 224 G N 0.038 108.844 108.800 0.010 0.000 2.420 224 G HA2 0.540 4.506 3.960 0.010 0.000 0.284 224 G HA3 0.540 4.506 3.960 0.010 0.000 0.284 224 G C 0.918 175.838 174.900 0.034 0.000 1.177 224 G CA -0.574 44.534 45.100 0.014 0.000 0.841 224 G HN 0.406 nan 8.290 nan 0.000 0.527 225 M N 0.901 120.517 119.600 0.026 0.000 2.333 225 M HA 0.171 4.657 4.480 0.010 0.000 0.257 225 M C 0.815 177.146 176.300 0.051 0.000 1.078 225 M CA 0.180 55.508 55.300 0.047 0.000 1.005 225 M CB -0.333 32.285 32.600 0.029 0.000 1.444 225 M HN 0.678 nan 8.290 nan 0.000 0.496 226 T N -3.504 111.076 114.554 0.044 0.000 2.865 226 T HA 0.458 4.814 4.350 0.010 0.000 0.294 226 T C 0.596 175.321 174.700 0.042 0.000 1.119 226 T CA -0.805 61.319 62.100 0.040 0.000 1.007 226 T CB 1.843 70.728 68.868 0.027 0.000 1.225 226 T HN -0.055 nan 8.240 nan 0.000 0.515 227 L N 0.962 122.205 121.223 0.034 0.000 2.043 227 L HA -0.037 4.309 4.340 0.010 0.000 0.212 227 L C 2.345 179.229 176.870 0.024 0.000 1.075 227 L CA 2.175 57.030 54.840 0.026 0.000 0.752 227 L CB -1.129 40.936 42.059 0.010 0.000 0.891 227 L HN 0.854 nan 8.230 nan 0.000 0.432 228 E N -0.185 120.026 120.200 0.019 0.000 2.047 228 E HA -0.185 4.172 4.350 0.010 0.000 0.191 228 E C 2.176 178.787 176.600 0.018 0.000 0.987 228 E CA 1.568 57.977 56.400 0.015 0.000 0.799 228 E CB -0.238 29.468 29.700 0.010 0.000 0.752 228 E HN 0.575 nan 8.360 nan 0.000 0.449 229 E N -0.248 119.964 120.200 0.020 0.000 2.110 229 E HA -0.150 4.206 4.350 0.010 0.000 0.193 229 E C 1.877 178.495 176.600 0.030 0.000 0.988 229 E CA 1.001 57.412 56.400 0.019 0.000 0.804 229 E CB -0.126 29.582 29.700 0.014 0.000 0.745 229 E HN 0.296 nan 8.360 nan 0.000 0.458 230 M N 0.031 119.661 119.600 0.050 0.000 2.492 230 M HA -0.051 4.436 4.480 0.010 0.000 0.262 230 M C 1.687 178.034 176.300 0.077 0.000 1.090 230 M CA 1.071 56.421 55.300 0.083 0.000 1.110 230 M CB 0.242 32.927 32.600 0.142 0.000 1.407 230 M HN 0.081 nan 8.290 nan 0.000 0.470 231 T N -3.416 111.165 114.554 0.045 0.000 3.054 231 T HA 0.162 4.518 4.350 0.010 0.000 0.255 231 T C 1.428 176.140 174.700 0.021 0.000 1.035 231 T CA -0.226 61.892 62.100 0.030 0.000 0.941 231 T CB 0.172 69.048 68.868 0.014 0.000 1.026 231 T HN 0.231 nan 8.240 nan 0.000 0.533 232 K N 1.582 121.994 120.400 0.020 0.000 2.057 232 K HA 0.095 4.421 4.320 0.010 0.000 0.206 232 K C 1.222 177.828 176.600 0.010 0.000 1.050 232 K CA 0.444 56.738 56.287 0.012 0.000 0.935 232 K CB -0.165 32.341 32.500 0.009 0.000 0.715 232 K HN 0.297 nan 8.250 nan 0.000 0.439 233 S N 0.551 116.259 115.700 0.013 0.000 2.572 233 S HA -0.054 4.422 4.470 0.010 0.000 0.279 233 S C 0.883 175.490 174.600 0.011 0.000 1.341 233 S CA -0.168 58.039 58.200 0.011 0.000 1.043 233 S CB 1.173 64.381 63.200 0.014 0.000 0.887 233 S HN 0.363 nan 8.310 nan 0.000 0.516 234 E N 2.834 123.039 120.200 0.009 0.000 2.150 234 E HA -0.024 4.332 4.350 0.010 0.000 0.193 234 E C 0.010 176.617 176.600 0.012 0.000 0.985 234 E CA 0.904 57.309 56.400 0.008 0.000 0.814 234 E CB 0.131 29.834 29.700 0.005 0.000 0.752 234 E HN 0.571 nan 8.360 nan 0.000 0.466 235 M N 0.719 120.328 119.600 0.016 0.000 2.518 235 M HA 0.305 4.792 4.480 0.010 0.000 0.300 235 M C -0.738 175.579 176.300 0.027 0.000 1.175 235 M CA -0.713 54.600 55.300 0.023 0.000 0.890 235 M CB 1.989 34.606 32.600 0.027 0.000 1.710 235 M HN -0.106 nan 8.290 nan 0.000 0.453 236 D N 0.269 120.681 120.400 0.019 0.000 2.482 236 D HA 0.548 5.195 4.640 0.010 0.000 0.223 236 D C -0.424 175.902 176.300 0.043 0.000 1.262 236 D CA 0.103 54.091 54.000 -0.019 0.000 1.125 236 D CB 0.815 41.565 40.800 -0.084 0.000 1.196 236 D HN 0.740 nan 8.370 nan 0.000 0.594 237 H N -2.442 116.654 119.070 0.044 0.000 2.948 237 H HA 0.548 5.111 4.556 0.011 0.000 0.315 237 H C -1.624 173.703 175.328 -0.002 0.000 1.360 237 H CA -0.816 55.248 56.048 0.026 0.000 1.125 237 H CB 0.936 30.742 29.762 0.073 0.000 1.844 237 H HN 0.085 nan 8.280 nan 0.000 0.529 238 V N 1.602 121.621 119.914 0.174 0.000 2.495 238 V HA 0.252 4.379 4.120 0.010 0.000 0.298 238 V C -0.266 175.766 176.094 -0.102 0.000 1.031 238 V CA -0.839 61.502 62.300 0.068 0.000 0.871 238 V CB 1.749 33.563 31.823 -0.014 0.000 0.988 238 V HN 0.543 nan 8.190 nan 0.000 0.432 239 V N 7.103 126.873 119.914 -0.239 0.000 2.427 239 V HA 0.554 4.680 4.120 0.010 0.000 0.286 239 V C -0.360 175.227 176.094 -0.845 0.000 1.034 239 V CA -0.080 61.744 62.300 -0.794 0.000 0.893 239 V CB 1.905 33.069 31.823 -1.099 0.000 0.982 239 V HN 0.629 nan 8.190 nan 0.000 0.452 240 V N 7.789 127.189 119.914 -0.856 0.000 2.394 240 V HA 0.486 4.612 4.120 0.010 0.000 0.282 240 V C -0.438 175.312 176.094 -0.573 0.000 1.031 240 V CA -0.415 61.513 62.300 -0.621 0.000 0.881 240 V CB 1.318 32.688 31.823 -0.755 0.000 0.982 240 V HN 0.737 nan 8.190 nan 0.000 0.451 241 F N 3.064 122.930 119.950 -0.141 0.000 2.404 241 F HA 0.387 4.921 4.527 0.010 0.000 0.354 241 F C 0.814 176.665 175.800 0.085 0.000 1.122 241 F CA -0.459 57.476 58.000 -0.109 0.000 1.080 241 F CB 1.018 39.782 39.000 -0.394 0.000 1.131 241 F HN 0.411 nan 8.300 nan 0.000 0.471 242 N N 4.874 123.702 118.700 0.212 0.000 2.508 242 N HA 0.075 4.822 4.740 0.010 0.000 0.253 242 N C 1.044 176.537 175.510 -0.029 0.000 1.145 242 N CA 0.021 53.071 53.050 -0.001 0.000 0.973 242 N CB 0.333 38.634 38.487 -0.310 0.000 1.305 242 N HN 0.516 nan 8.380 nan 0.000 0.506 243 I N 2.117 122.642 120.570 -0.076 0.000 2.226 243 I HA -0.222 3.955 4.170 0.010 0.000 0.245 243 I C 2.150 178.232 176.117 -0.058 0.000 1.100 243 I CA 0.864 62.150 61.300 -0.023 0.000 1.374 243 I CB -1.500 36.547 38.000 0.078 0.000 1.057 243 I HN 0.470 nan 8.210 nan 0.000 0.413 244 A N 0.348 123.106 122.820 -0.104 0.000 1.930 244 A HA -0.150 4.176 4.320 0.010 0.000 0.217 244 A C 2.187 179.766 177.584 -0.008 0.000 1.175 244 A CA 1.195 53.200 52.037 -0.054 0.000 0.627 244 A CB -0.346 18.600 19.000 -0.090 0.000 0.815 244 A HN 0.355 nan 8.150 nan 0.000 0.443 245 E N 0.001 120.216 120.200 0.025 0.000 2.107 245 E HA -0.099 4.258 4.350 0.010 0.000 0.191 245 E C 1.978 178.691 176.600 0.189 0.000 0.982 245 E CA 0.886 57.372 56.400 0.142 0.000 0.809 245 E CB -0.359 29.454 29.700 0.188 0.000 0.756 245 E HN 0.733 nan 8.360 nan 0.000 0.459 246 I N 1.252 121.817 120.570 -0.009 0.000 2.179 246 I HA -0.261 3.915 4.170 0.010 0.000 0.242 246 I C 2.283 178.109 176.117 -0.484 0.000 1.088 246 I CA 1.237 62.258 61.300 -0.465 0.000 1.357 246 I CB -0.261 37.171 38.000 -0.946 0.000 1.051 246 I HN 0.067 nan 8.210 nan 0.000 0.409 247 E N 0.804 120.820 120.200 -0.306 0.000 2.077 247 E HA -0.288 4.068 4.350 0.010 0.000 0.193 247 E C 2.118 178.695 176.600 -0.039 0.000 0.989 247 E CA 1.181 57.502 56.400 -0.131 0.000 0.800 247 E CB -0.121 29.604 29.700 0.043 0.000 0.746 247 E HN 0.368 nan 8.360 nan 0.000 0.452 248 K N 1.096 121.498 120.400 0.003 0.000 2.044 248 K HA -0.221 4.105 4.320 0.010 0.000 0.210 248 K C 2.119 178.760 176.600 0.069 0.000 1.049 248 K CA 1.572 57.889 56.287 0.049 0.000 0.927 248 K CB -0.169 32.374 32.500 0.072 0.000 0.713 248 K HN 0.095 nan 8.250 nan 0.000 0.443 249 A N 1.118 123.991 122.820 0.088 0.000 1.898 249 A HA -0.106 4.220 4.320 0.010 0.000 0.216 249 A C 2.062 179.718 177.584 0.121 0.000 1.181 249 A CA 1.303 53.419 52.037 0.131 0.000 0.620 249 A CB -0.456 18.670 19.000 0.210 0.000 0.819 249 A HN 0.322 nan 8.150 nan 0.000 0.442 250 I N 0.211 120.800 120.570 0.032 0.000 2.142 250 I HA -0.214 3.962 4.170 0.010 0.000 0.240 250 I C 2.145 178.370 176.117 0.181 0.000 1.078 250 I CA 1.705 63.066 61.300 0.103 0.000 1.343 250 I CB -1.303 36.646 38.000 -0.086 0.000 1.046 250 I HN 0.354 nan 8.210 nan 0.000 0.405 251 K N 0.800 121.261 120.400 0.100 0.000 2.280 251 K HA -0.031 4.296 4.320 0.010 0.000 0.202 251 K C 1.707 178.365 176.600 0.097 0.000 1.047 251 K CA 1.203 57.548 56.287 0.097 0.000 0.942 251 K CB -0.144 32.397 32.500 0.067 0.000 0.739 251 K HN 0.281 nan 8.250 nan 0.000 0.457 252 A N 0.502 123.379 122.820 0.096 0.000 2.307 252 A HA 0.269 4.595 4.320 0.010 0.000 0.218 252 A C 1.294 178.902 177.584 0.040 0.000 1.228 252 A CA 0.468 52.545 52.037 0.066 0.000 0.857 252 A CB -0.342 18.693 19.000 0.058 0.000 0.897 252 A HN 0.354 nan 8.150 nan 0.000 0.495 253 G N -0.612 108.234 108.800 0.076 0.000 2.168 253 G HA2 -0.306 3.660 3.960 0.010 0.000 0.257 253 G HA3 -0.306 3.660 3.960 0.010 0.000 0.257 253 G C 0.157 174.844 174.900 -0.355 0.000 0.997 253 G CA 0.541 45.544 45.100 -0.161 0.000 0.708 253 G HN 0.646 nan 8.290 nan 0.000 0.520 254 Q N -0.227 119.530 119.800 -0.073 0.000 3.027 254 Q HA 0.528 4.874 4.340 0.010 0.000 0.260 254 Q C 0.068 176.108 176.000 0.067 0.000 1.379 254 Q CA -0.262 55.528 55.803 -0.023 0.000 1.038 254 Q CB -0.108 28.687 28.738 0.096 0.000 1.578 254 Q HN 0.832 nan 8.270 nan 0.000 0.571 255 Y N -2.374 117.939 120.300 0.021 0.000 2.744 255 Y HA 0.545 5.101 4.550 0.011 0.000 0.330 255 Y C -1.085 174.827 175.900 0.020 0.000 1.263 255 Y CA -1.784 56.321 58.100 0.008 0.000 1.065 255 Y CB 0.981 39.428 38.460 -0.022 0.000 1.306 255 Y HN 0.123 nan 8.280 nan 0.000 0.459 256 E N 0.239 120.608 120.200 0.283 0.000 2.248 256 E HA 0.443 4.800 4.350 0.010 0.000 0.267 256 E C -1.565 175.199 176.600 0.273 0.000 0.877 256 E CA -1.065 55.454 56.400 0.199 0.000 0.759 256 E CB 2.637 32.396 29.700 0.098 0.000 1.182 256 E HN 0.590 nan 8.360 nan 0.000 0.418 257 E N 3.088 123.424 120.200 0.226 0.000 2.180 257 E HA 0.290 4.646 4.350 0.010 0.000 0.283 257 E C -1.203 175.453 176.600 0.093 0.000 1.061 257 E CA -0.069 56.431 56.400 0.168 0.000 0.861 257 E CB 0.543 30.335 29.700 0.153 0.000 1.056 257 E HN 0.460 nan 8.360 nan 0.000 0.407 258 I N 4.354 124.963 120.570 0.065 0.000 2.478 258 I HA 0.245 4.421 4.170 0.010 0.000 0.287 258 I C -0.299 175.830 176.117 0.020 0.000 1.042 258 I CA -0.936 60.389 61.300 0.041 0.000 1.067 258 I CB 1.763 39.788 38.000 0.042 0.000 1.233 258 I HN 0.488 nan 8.210 nan 0.000 0.431 259 N N 4.829 123.538 118.700 0.015 0.000 2.716 259 N HA -0.214 4.532 4.740 0.010 0.000 0.250 259 N C 1.010 176.518 175.510 -0.003 0.000 1.033 259 N CA 1.356 54.409 53.050 0.004 0.000 0.727 259 N CB -0.810 37.675 38.487 -0.003 0.000 0.950 259 N HN 1.221 nan 8.380 nan 0.000 0.541 260 G N -2.781 106.023 108.800 0.006 0.000 2.189 260 G HA2 -0.335 3.631 3.960 0.010 0.000 0.267 260 G HA3 -0.335 3.631 3.960 0.010 0.000 0.267 260 G C 0.090 174.980 174.900 -0.017 0.000 0.975 260 G CA 0.546 45.646 45.100 0.001 0.000 0.644 260 G HN 0.475 nan 8.290 nan 0.000 0.537 261 V N 0.550 120.451 119.914 -0.023 0.000 2.667 261 V HA 0.476 4.603 4.120 0.010 0.000 0.308 261 V C 0.457 176.520 176.094 -0.052 0.000 1.048 261 V CA -0.930 61.336 62.300 -0.057 0.000 0.928 261 V CB 1.859 33.640 31.823 -0.071 0.000 1.004 261 V HN 0.268 nan 8.190 nan 0.000 0.444 262 K N 3.014 123.329 120.400 -0.142 0.000 2.316 262 K HA 0.521 4.847 4.320 0.010 0.000 0.289 262 K C -1.074 175.461 176.600 -0.108 0.000 1.070 262 K CA -0.211 55.903 56.287 -0.289 0.000 0.928 262 K CB 1.191 33.195 32.500 -0.826 0.000 1.039 262 K HN 0.394 nan 8.250 nan 0.000 0.480 263 V N 3.980 123.918 119.914 0.040 0.000 2.495 263 V HA 0.308 4.435 4.120 0.010 0.000 0.298 263 V C -0.038 176.110 176.094 0.090 0.000 1.031 263 V CA -1.005 61.332 62.300 0.062 0.000 0.871 263 V CB 1.578 33.444 31.823 0.072 0.000 0.988 263 V HN 0.577 nan 8.190 nan 0.000 0.432 264 V N 0.514 120.425 119.914 -0.004 0.000 2.881 264 V HA 0.711 4.838 4.120 0.010 0.000 0.316 264 V C -0.575 175.561 176.094 0.069 0.000 1.070 264 V CA -0.641 61.637 62.300 -0.036 0.000 0.976 264 V CB 2.095 33.635 31.823 -0.473 0.000 1.038 264 V HN 0.771 nan 8.190 nan 0.000 0.446 265 D N 2.532 123.053 120.400 0.202 0.000 2.467 265 D HA 0.471 5.118 4.640 0.010 0.000 0.220 265 D C 0.779 177.302 176.300 0.371 0.000 1.103 265 D CA 0.228 54.371 54.000 0.238 0.000 0.886 265 D CB 0.979 41.890 40.800 0.185 0.000 1.025 265 D HN 0.940 nan 8.370 nan 0.000 0.514 266 G N 3.467 112.481 108.800 0.357 0.000 3.448 266 G HA2 0.027 3.993 3.960 0.010 0.000 0.261 266 G HA3 0.027 3.993 3.960 0.010 0.000 0.261 266 G C 0.702 175.786 174.900 0.306 0.000 1.173 266 G CA -0.401 44.929 45.100 0.383 0.000 0.835 266 G HN 0.299 nan 8.290 nan 0.000 0.534 267 R N 0.107 120.735 120.500 0.215 0.000 2.694 267 R HA 0.179 4.525 4.340 0.010 0.000 0.268 267 R C 1.104 177.403 176.300 -0.002 0.000 1.061 267 R CA -0.112 56.057 56.100 0.116 0.000 1.133 267 R CB 0.890 31.232 30.300 0.071 0.000 1.020 267 R HN 0.104 nan 8.270 nan 0.000 0.475 268 K N 1.765 122.029 120.400 -0.227 0.000 2.044 268 K HA -0.213 4.113 4.320 0.010 0.000 0.210 268 K C 1.777 178.274 176.600 -0.171 0.000 1.049 268 K CA 1.910 57.989 56.287 -0.346 0.000 0.927 268 K CB 0.033 32.213 32.500 -0.534 0.000 0.713 268 K HN 0.633 nan 8.250 nan 0.000 0.443 269 E N 0.877 121.003 120.200 -0.123 0.000 2.418 269 E HA -0.108 4.248 4.350 0.010 0.000 0.197 269 E C 1.653 178.225 176.600 -0.046 0.000 1.026 269 E CA 1.053 57.406 56.400 -0.079 0.000 0.862 269 E CB -0.077 29.586 29.700 -0.061 0.000 0.799 269 E HN 0.259 nan 8.360 nan 0.000 0.518 270 A N 2.023 124.830 122.820 -0.022 0.000 2.015 270 A HA -0.117 4.210 4.320 0.010 0.000 0.219 270 A C 0.950 178.514 177.584 -0.033 0.000 1.163 270 A CA 0.885 52.924 52.037 0.002 0.000 0.646 270 A CB -0.260 18.777 19.000 0.060 0.000 0.806 270 A HN 0.125 nan 8.150 nan 0.000 0.448 271 K N 0.399 120.764 120.400 -0.058 0.000 3.148 271 K HA -0.144 4.182 4.320 0.010 0.000 0.267 271 K C 0.272 176.799 176.600 -0.122 0.000 0.996 271 K CA 0.974 57.207 56.287 -0.089 0.000 0.737 271 K CB -2.559 29.893 32.500 -0.081 0.000 1.308 271 K HN 0.868 nan 8.250 nan 0.000 0.470 272 S N -1.262 114.351 115.700 -0.144 0.000 2.707 272 S HA 0.560 5.036 4.470 0.010 0.000 0.276 272 S C 1.289 175.705 174.600 -0.306 0.000 1.179 272 S CA -1.042 56.968 58.200 -0.316 0.000 0.992 272 S CB 1.312 64.250 63.200 -0.437 0.000 1.030 272 S HN 0.251 nan 8.310 nan 0.000 0.554 273 L N 0.187 121.128 121.223 -0.469 0.000 2.611 273 L HA 0.250 4.596 4.340 0.010 0.000 0.229 273 L C 0.667 177.572 176.870 0.058 0.000 1.137 273 L CA 0.089 54.838 54.840 -0.150 0.000 0.901 273 L CB -0.475 41.514 42.059 -0.116 0.000 1.098 273 L HN 0.605 nan 8.230 nan 0.000 0.456 274 F N -0.696 119.360 119.950 0.176 0.000 2.416 274 F HA 0.048 4.581 4.527 0.011 0.000 0.296 274 F C 1.349 177.292 175.800 0.238 0.000 1.099 274 F CA -0.138 57.954 58.000 0.152 0.000 1.427 274 F CB -0.588 38.467 39.000 0.091 0.000 1.079 274 F HN -0.007 nan 8.300 nan 0.000 0.536 275 T N -0.881 113.878 114.554 0.343 0.000 2.912 275 T HA 0.739 5.095 4.350 0.010 0.000 0.299 275 T C -0.590 173.914 174.700 -0.327 0.000 1.052 275 T CA -1.023 61.060 62.100 -0.028 0.000 0.996 275 T CB 3.020 71.813 68.868 -0.125 0.000 1.070 275 T HN -0.205 nan 8.240 nan 0.000 0.465 276 R N 0.918 121.059 120.500 -0.598 0.000 2.744 276 R HA 0.456 4.802 4.340 0.010 0.000 0.279 276 R C -1.805 174.095 176.300 -0.666 0.000 0.977 276 R CA -0.845 54.845 56.100 -0.684 0.000 0.906 276 R CB 1.915 31.598 30.300 -1.028 0.000 1.197 276 R HN 0.781 nan 8.270 nan 0.000 0.463 277 Y N 1.898 121.923 120.300 -0.459 0.000 2.388 277 Y HA 0.469 5.025 4.550 0.010 0.000 0.328 277 Y C 0.403 176.129 175.900 -0.289 0.000 0.963 277 Y CA -0.449 57.389 58.100 -0.437 0.000 1.240 277 Y CB 1.223 39.370 38.460 -0.522 0.000 1.118 277 Y HN 0.328 nan 8.280 nan 0.000 0.484 278 I N 6.673 127.166 120.570 -0.128 0.000 2.304 278 I HA 0.300 4.476 4.170 0.010 0.000 0.291 278 I C -2.365 173.769 176.117 0.029 0.000 1.018 278 I CA -2.309 58.950 61.300 -0.068 0.000 1.260 278 I CB 1.321 39.257 38.000 -0.106 0.000 1.390 278 I HN 0.322 nan 8.210 nan 0.000 0.475 279 P HA 0.174 nan 4.420 nan 0.000 0.271 279 P C -0.884 176.443 177.300 0.046 0.000 1.233 279 P CA 0.099 63.239 63.100 0.066 0.000 0.764 279 P CB 0.357 32.080 31.700 0.038 0.000 0.825 280 I N 2.444 123.046 120.570 0.053 0.000 2.436 280 I HA 0.462 4.638 4.170 0.010 0.000 0.289 280 I C 0.429 176.560 176.117 0.022 0.000 1.010 280 I CA -1.394 59.923 61.300 0.029 0.000 1.098 280 I CB 1.383 39.399 38.000 0.027 0.000 1.266 280 I HN 0.264 nan 8.210 nan 0.000 0.434 281 A N 5.709 128.538 122.820 0.015 0.000 2.340 281 A HA 0.613 4.939 4.320 0.010 0.000 0.268 281 A C -0.088 177.501 177.584 0.008 0.000 1.100 281 A CA -0.290 51.753 52.037 0.011 0.000 0.803 281 A CB 0.471 19.475 19.000 0.007 0.000 1.043 281 A HN 0.727 nan 8.150 nan 0.000 0.488 282 N N 1.071 119.776 118.700 0.009 0.000 2.430 282 N HA 0.210 4.956 4.740 0.010 0.000 0.290 282 N C -1.103 174.419 175.510 0.020 0.000 1.063 282 N CA -0.359 52.699 53.050 0.013 0.000 0.883 282 N CB 0.644 39.133 38.487 0.005 0.000 1.465 282 N HN 0.561 nan 8.380 nan 0.000 0.493 283 N N 1.178 119.906 118.700 0.046 0.000 2.688 283 N HA -0.133 4.613 4.740 0.010 0.000 0.258 283 N C -2.654 172.910 175.510 0.090 0.000 1.016 283 N CA 0.481 53.587 53.050 0.095 0.000 0.747 283 N CB -0.550 37.964 38.487 0.045 0.000 0.895 283 N HN 0.520 nan 8.380 nan 0.000 0.543 284 P HA 0.050 nan 4.420 nan 0.000 0.271 284 P C 0.288 177.688 177.300 0.167 0.000 1.218 284 P CA 0.309 63.463 63.100 0.090 0.000 0.780 284 P CB 1.343 33.078 31.700 0.058 0.000 0.901 285 H N 1.911 120.982 119.070 0.002 0.000 3.699 285 H HA 0.326 4.888 4.556 0.011 0.000 0.154 285 H C 0.854 176.188 175.328 0.010 0.000 1.184 285 H CA 0.790 56.838 56.048 -0.001 0.000 1.208 285 H CB -0.341 29.344 29.762 -0.129 0.000 1.363 285 H HN 0.493 nan 8.280 nan 0.000 0.384 286 G N 0.271 108.910 108.800 -0.269 0.000 2.391 286 G HA2 0.211 4.177 3.960 0.010 0.000 0.234 286 G HA3 0.211 4.177 3.960 0.010 0.000 0.234 286 G C -0.627 174.303 174.900 0.049 0.000 1.284 286 G CA 0.353 45.373 45.100 -0.132 0.000 0.873 286 G HN 0.567 nan 8.290 nan 0.000 0.549 287 C N 3.274 122.653 119.300 0.132 0.000 2.653 287 C HA 0.505 4.972 4.460 0.010 0.000 0.291 287 C C -0.283 174.862 174.990 0.257 0.000 1.064 287 C CA -1.248 57.879 59.018 0.182 0.000 1.469 287 C CB -1.328 26.529 27.740 0.194 0.000 1.861 287 C HN 0.752 nan 8.230 nan 0.000 0.434 288 N N 3.856 122.735 118.700 0.299 0.000 2.399 288 N HA 0.532 5.278 4.740 0.010 0.000 0.280 288 N C -0.634 175.157 175.510 0.469 0.000 1.008 288 N CA -0.408 52.894 53.050 0.421 0.000 0.894 288 N CB 1.482 40.238 38.487 0.449 0.000 1.273 288 N HN 0.522 nan 8.380 nan 0.000 0.486 289 M N 3.002 122.830 119.600 0.380 0.000 2.146 289 M HA 0.500 4.986 4.480 0.010 0.000 0.357 289 M C -0.511 175.786 176.300 -0.005 0.000 1.261 289 M CA -0.553 54.876 55.300 0.215 0.000 1.106 289 M CB 0.501 33.273 32.600 0.288 0.000 1.612 289 M HN 0.625 nan 8.290 nan 0.000 0.470 290 A N 7.689 130.256 122.820 -0.421 0.000 2.340 290 A HA 0.605 4.932 4.320 0.010 0.000 0.268 290 A C -1.858 175.541 177.584 -0.308 0.000 1.100 290 A CA -1.170 50.263 52.037 -1.007 0.000 0.803 290 A CB -0.242 18.154 19.000 -1.007 0.000 1.043 290 A HN 0.791 nan 8.150 nan 0.000 0.488 291 P HA -0.097 nan 4.420 nan 0.000 0.233 291 P C 0.258 177.331 177.300 -0.378 0.000 1.167 291 P CA 1.097 64.055 63.100 -0.237 0.000 0.770 291 P CB -0.066 31.598 31.700 -0.059 0.000 0.837 292 D N 0.123 120.351 120.400 -0.286 0.000 2.392 292 D HA -0.154 4.492 4.640 0.010 0.000 0.228 292 D C 0.874 176.993 176.300 -0.301 0.000 1.003 292 D CA 0.230 54.083 54.000 -0.246 0.000 0.917 292 D CB -0.667 40.044 40.800 -0.149 0.000 0.890 292 D HN 0.097 nan 8.370 nan 0.000 0.532 293 R N -1.524 118.767 120.500 -0.349 0.000 3.922 293 R HA -0.231 4.115 4.340 0.010 0.000 0.447 293 R C 1.044 177.237 176.300 -0.177 0.000 1.035 293 R CA 1.631 57.575 56.100 -0.260 0.000 1.289 293 R CB -1.713 28.385 30.300 -0.336 0.000 1.906 293 R HN 0.314 nan 8.270 nan 0.000 0.540 294 K N -0.516 119.695 120.400 -0.315 0.000 2.367 294 K HA 0.149 4.475 4.320 0.010 0.000 0.198 294 K C 0.217 176.531 176.600 -0.476 0.000 1.132 294 K CA 0.226 56.227 56.287 -0.476 0.000 0.941 294 K CB 0.423 32.447 32.500 -0.793 0.000 1.052 294 K HN 0.155 nan 8.250 nan 0.000 0.507 295 H N 1.168 120.135 119.070 -0.171 0.000 2.541 295 H HA 0.185 4.747 4.556 0.010 0.000 0.316 295 H C -0.997 174.232 175.328 -0.165 0.000 1.043 295 H CA -0.856 55.088 56.048 -0.174 0.000 1.232 295 H CB 1.175 30.853 29.762 -0.140 0.000 1.406 295 H HN -0.038 nan 8.280 nan 0.000 0.469 296 L N 3.928 125.121 121.223 -0.050 0.000 2.264 296 L HA 0.327 4.673 4.340 0.010 0.000 0.289 296 L C -0.728 176.174 176.870 0.054 0.000 1.044 296 L CA -0.440 54.350 54.840 -0.082 0.000 0.807 296 L CB 0.547 42.377 42.059 -0.382 0.000 1.192 296 L HN 0.544 nan 8.230 nan 0.000 0.425 297 C N 5.323 124.746 119.300 0.206 0.000 2.255 297 C HA 0.605 5.071 4.460 0.010 0.000 0.326 297 C C 0.015 175.129 174.990 0.207 0.000 1.258 297 C CA -0.829 58.359 59.018 0.284 0.000 1.676 297 C CB 0.431 28.477 27.740 0.511 0.000 2.314 297 C HN 0.614 nan 8.230 nan 0.000 0.509 298 V N 4.163 124.154 119.914 0.129 0.000 2.347 298 V HA 0.578 4.705 4.120 0.010 0.000 0.280 298 V C 0.576 176.709 176.094 0.065 0.000 1.021 298 V CA -0.288 62.063 62.300 0.085 0.000 0.847 298 V CB 1.179 33.029 31.823 0.046 0.000 0.990 298 V HN 0.980 nan 8.190 nan 0.000 0.444 299 A N 3.655 126.508 122.820 0.056 0.000 2.366 299 A HA 0.608 4.934 4.320 0.010 0.000 0.272 299 A C 1.469 179.063 177.584 0.016 0.000 1.135 299 A CA 0.272 52.326 52.037 0.028 0.000 0.804 299 A CB 0.841 19.842 19.000 0.003 0.000 1.064 299 A HN 1.045 nan 8.150 nan 0.000 0.499 300 G N 0.872 109.670 108.800 -0.004 0.000 2.443 300 G HA2 -0.089 3.877 3.960 0.010 0.000 0.219 300 G HA3 -0.089 3.877 3.960 0.010 0.000 0.219 300 G C 1.148 176.045 174.900 -0.005 0.000 1.131 300 G CA 1.063 46.159 45.100 -0.007 0.000 0.775 300 G HN 1.103 nan 8.290 nan 0.000 0.547 301 K N -1.529 118.862 120.400 -0.014 0.000 11.017 301 K HA -0.326 4.001 4.320 0.010 0.000 0.514 301 K C 1.917 178.495 176.600 -0.037 0.000 0.416 301 K CA 2.188 58.450 56.287 -0.042 0.000 1.853 301 K CB -1.484 30.974 32.500 -0.069 0.000 0.797 301 K HN 0.224 nan 8.250 nan 0.000 1.242 302 L N 0.741 121.944 121.223 -0.034 0.000 2.313 302 L HA 0.060 4.406 4.340 0.010 0.000 0.214 302 L C 1.237 178.098 176.870 -0.014 0.000 1.119 302 L CA 0.531 55.355 54.840 -0.026 0.000 0.809 302 L CB 0.095 42.140 42.059 -0.024 0.000 0.933 302 L HN 0.277 nan 8.230 nan 0.000 0.449 303 S N 0.678 116.370 115.700 -0.013 0.000 2.562 303 S HA 0.243 4.719 4.470 0.010 0.000 0.275 303 S C -1.884 172.704 174.600 -0.021 0.000 1.281 303 S CA -1.398 56.794 58.200 -0.014 0.000 1.045 303 S CB 1.022 64.214 63.200 -0.014 0.000 0.962 303 S HN -0.040 nan 8.310 nan 0.000 0.503 304 P HA 0.170 nan 4.420 nan 0.000 0.249 304 P C -0.310 176.949 177.300 -0.068 0.000 1.593 304 P CA -0.088 62.992 63.100 -0.034 0.000 0.896 304 P CB -0.720 30.964 31.700 -0.026 0.000 1.581 305 T N -3.582 110.926 114.554 -0.077 0.000 2.907 305 T HA 0.571 4.927 4.350 0.010 0.000 0.290 305 T C -0.473 174.150 174.700 -0.128 0.000 1.066 305 T CA -0.880 61.145 62.100 -0.124 0.000 1.012 305 T CB 1.687 70.500 68.868 -0.093 0.000 1.184 305 T HN -0.225 nan 8.240 nan 0.000 0.522 306 V N 1.234 121.028 119.914 -0.200 0.000 2.513 306 V HA 0.530 4.656 4.120 0.010 0.000 0.299 306 V C 0.112 176.139 176.094 -0.110 0.000 1.035 306 V CA -0.661 61.566 62.300 -0.122 0.000 0.889 306 V CB 1.931 33.687 31.823 -0.111 0.000 0.988 306 V HN 1.129 nan 8.190 nan 0.000 0.440 307 T N 4.436 118.964 114.554 -0.043 0.000 2.744 307 T HA 0.417 4.773 4.350 0.010 0.000 0.291 307 T C -0.207 174.477 174.700 -0.027 0.000 0.957 307 T CA -0.198 61.865 62.100 -0.061 0.000 1.002 307 T CB 1.059 69.903 68.868 -0.041 0.000 0.919 307 T HN 0.368 nan 8.240 nan 0.000 0.468 308 V N 6.199 126.069 119.914 -0.073 0.000 2.364 308 V HA 0.372 4.498 4.120 0.010 0.000 0.272 308 V C 0.172 176.222 176.094 -0.073 0.000 1.036 308 V CA -0.709 61.573 62.300 -0.030 0.000 0.880 308 V CB 0.558 32.358 31.823 -0.039 0.000 0.991 308 V HN 0.715 nan 8.190 nan 0.000 0.460 309 L N 3.527 124.731 121.223 -0.032 0.000 2.334 309 L HA 0.581 4.928 4.340 0.010 0.000 0.275 309 L C -0.182 176.637 176.870 -0.084 0.000 1.036 309 L CA -0.524 54.284 54.840 -0.053 0.000 0.807 309 L CB 1.726 43.779 42.059 -0.011 0.000 1.231 309 L HN 0.523 nan 8.230 nan 0.000 0.438 310 D N 1.182 121.485 120.400 -0.162 0.000 2.427 310 D HA 0.157 4.804 4.640 0.010 0.000 0.226 310 D C 0.894 176.778 176.300 -0.694 0.000 1.076 310 D CA -0.505 53.337 54.000 -0.264 0.000 0.849 310 D CB 1.842 42.570 40.800 -0.119 0.000 1.052 310 D HN 0.342 nan 8.370 nan 0.000 0.515 311 V N 2.255 121.618 119.914 -0.919 0.000 2.828 311 V HA -0.184 3.943 4.120 0.010 0.000 0.260 311 V C 1.828 177.438 176.094 -0.807 0.000 1.101 311 V CA 2.187 63.588 62.300 -1.498 0.000 1.123 311 V CB -1.571 29.838 31.823 -0.689 0.000 0.704 311 V HN 0.650 nan 8.190 nan 0.000 0.493 312 T N -2.451 111.859 114.554 -0.408 0.000 3.085 312 T HA 0.016 4.373 4.350 0.010 0.000 0.263 312 T C 1.527 176.175 174.700 -0.087 0.000 1.127 312 T CA 1.031 63.044 62.100 -0.145 0.000 1.103 312 T CB -0.401 68.399 68.868 -0.113 0.000 0.921 312 T HN 0.610 nan 8.240 nan 0.000 0.510 313 K N -0.355 119.937 120.400 -0.179 0.000 2.374 313 K HA 0.252 4.578 4.320 0.010 0.000 0.196 313 K C 0.866 177.523 176.600 0.095 0.000 1.023 313 K CA -0.213 56.055 56.287 -0.032 0.000 1.103 313 K CB 0.036 32.514 32.500 -0.036 0.000 0.848 313 K HN 0.234 nan 8.250 nan 0.000 0.528 314 F N 2.267 122.130 119.950 -0.144 0.000 2.186 314 F HA -0.145 4.388 4.527 0.010 0.000 0.299 314 F C 1.843 177.661 175.800 0.029 0.000 1.090 314 F CA 0.748 58.577 58.000 -0.285 0.000 1.307 314 F CB -0.610 37.768 39.000 -1.036 0.000 1.019 314 F HN 0.069 nan 8.300 nan 0.000 0.489 315 D N 0.244 120.905 120.400 0.434 0.000 2.133 315 D HA -0.190 4.457 4.640 0.010 0.000 0.195 315 D C 2.342 178.947 176.300 0.509 0.000 0.997 315 D CA 1.542 55.907 54.000 0.608 0.000 0.840 315 D CB -0.315 40.779 40.800 0.490 0.000 0.947 315 D HN 0.239 nan 8.370 nan 0.000 0.452 316 A N 0.886 123.891 122.820 0.308 0.000 1.933 316 A HA -0.134 4.192 4.320 0.010 0.000 0.218 316 A C 2.457 180.123 177.584 0.136 0.000 1.175 316 A CA 0.824 52.984 52.037 0.206 0.000 0.628 316 A CB -0.721 18.356 19.000 0.128 0.000 0.814 316 A HN 0.207 nan 8.150 nan 0.000 0.444 317 L N -2.144 119.140 121.223 0.102 0.000 2.042 317 L HA -0.194 4.153 4.340 0.010 0.000 0.210 317 L C 2.450 179.184 176.870 -0.228 0.000 1.076 317 L CA 1.439 56.225 54.840 -0.091 0.000 0.749 317 L CB -0.587 41.352 42.059 -0.199 0.000 0.893 317 L HN 0.393 nan 8.230 nan 0.000 0.432 318 F N -1.828 117.988 119.950 -0.223 0.000 2.270 318 F HA -0.104 4.429 4.527 0.010 0.000 0.295 318 F C 1.838 177.311 175.800 -0.546 0.000 1.087 318 F CA 1.093 58.783 58.000 -0.516 0.000 1.365 318 F CB -0.261 38.212 39.000 -0.879 0.000 1.056 318 F HN -0.063 nan 8.300 nan 0.000 0.506 319 Y N -2.176 118.259 120.300 0.224 0.000 2.430 319 Y HA 0.182 4.738 4.550 0.011 0.000 0.248 319 Y C 0.684 176.634 175.900 0.083 0.000 1.108 319 Y CA -0.193 57.992 58.100 0.143 0.000 1.264 319 Y CB 0.514 39.065 38.460 0.151 0.000 1.172 319 Y HN -0.138 nan 8.280 nan 0.000 0.520 320 D N -0.479 120.025 120.400 0.173 0.000 2.620 320 D HA 0.070 4.716 4.640 0.010 0.000 0.260 320 D C -0.196 176.132 176.300 0.046 0.000 1.367 320 D CA 0.044 54.108 54.000 0.107 0.000 0.805 320 D CB 0.006 40.874 40.800 0.112 0.000 1.096 320 D HN 0.143 nan 8.370 nan 0.000 0.488 321 N N 0.595 119.300 118.700 0.010 0.000 2.708 321 N HA -0.223 4.523 4.740 0.010 0.000 0.251 321 N C -0.195 175.296 175.510 -0.032 0.000 1.123 321 N CA 0.725 53.758 53.050 -0.028 0.000 0.739 321 N CB -0.605 37.873 38.487 -0.014 0.000 1.113 321 N HN 0.320 nan 8.380 nan 0.000 0.561 322 A N 0.594 123.400 122.820 -0.023 0.000 2.445 322 A HA 0.295 4.621 4.320 0.010 0.000 0.242 322 A C 0.616 178.176 177.584 -0.041 0.000 1.075 322 A CA 0.065 52.094 52.037 -0.014 0.000 0.777 322 A CB 0.243 19.251 19.000 0.013 0.000 1.013 322 A HN 0.424 nan 8.150 nan 0.000 0.493 323 E N 2.514 122.698 120.200 -0.027 0.000 2.360 323 E HA 0.106 4.462 4.350 0.010 0.000 0.269 323 E C -2.258 174.318 176.600 -0.040 0.000 1.022 323 E CA -1.420 54.959 56.400 -0.035 0.000 0.887 323 E CB 0.086 29.774 29.700 -0.019 0.000 0.990 323 E HN 0.317 nan 8.360 nan 0.000 0.426 324 P HA -0.172 nan 4.420 nan 0.000 0.215 324 P C 1.003 178.282 177.300 -0.035 0.000 1.163 324 P CA 1.369 64.426 63.100 -0.072 0.000 0.894 324 P CB 0.157 31.814 31.700 -0.072 0.000 0.791 325 R N -0.187 120.305 120.500 -0.013 0.000 2.323 325 R HA 0.066 4.412 4.340 0.010 0.000 0.198 325 R C 2.003 178.320 176.300 0.028 0.000 0.988 325 R CA 0.846 56.953 56.100 0.011 0.000 1.041 325 R CB -1.138 29.177 30.300 0.024 0.000 0.926 325 R HN 0.352 nan 8.270 nan 0.000 0.476 326 S N 0.179 115.892 115.700 0.022 0.000 2.442 326 S HA -0.083 4.393 4.470 0.010 0.000 0.236 326 S C 1.986 176.607 174.600 0.035 0.000 1.007 326 S CA 0.943 59.163 58.200 0.033 0.000 0.965 326 S CB 0.028 63.243 63.200 0.025 0.000 0.773 326 S HN 0.304 nan 8.310 nan 0.000 0.504 327 A N 1.046 123.888 122.820 0.035 0.000 2.119 327 A HA 0.381 4.708 4.320 0.010 0.000 0.216 327 A C 0.936 178.516 177.584 -0.006 0.000 1.152 327 A CA 0.242 52.299 52.037 0.033 0.000 0.708 327 A CB -0.464 18.616 19.000 0.133 0.000 0.805 327 A HN 0.418 nan 8.150 nan 0.000 0.460 328 V N 1.476 121.382 119.914 -0.014 0.000 2.479 328 V HA 0.145 4.272 4.120 0.010 0.000 0.281 328 V C 1.241 177.239 176.094 -0.159 0.000 1.031 328 V CA 0.678 62.919 62.300 -0.098 0.000 1.038 328 V CB 0.951 32.716 31.823 -0.096 0.000 0.981 328 V HN 0.484 nan 8.190 nan 0.000 0.478 329 V N 1.655 121.422 119.914 -0.245 0.000 3.477 329 V HA 0.858 4.984 4.120 0.010 0.000 0.297 329 V C 0.376 176.198 176.094 -0.453 0.000 1.433 329 V CA 0.521 62.690 62.300 -0.219 0.000 1.052 329 V CB 0.054 31.851 31.823 -0.044 0.000 0.895 329 V HN 0.993 nan 8.190 nan 0.000 0.438 330 A N -0.107 122.277 122.820 -0.726 0.000 2.586 330 A HA 0.797 5.123 4.320 0.010 0.000 0.291 330 A C -0.846 176.378 177.584 -0.599 0.000 1.062 330 A CA -0.237 51.368 52.037 -0.720 0.000 0.666 330 A CB 1.571 20.437 19.000 -0.222 0.000 1.281 330 A HN 0.192 nan 8.150 nan 0.000 0.421 331 E N 1.264 121.263 120.200 -0.334 0.000 3.286 331 E HA 0.243 4.600 4.350 0.010 0.000 0.309 331 E C -2.789 173.739 176.600 -0.121 0.000 1.174 331 E CA -1.310 54.983 56.400 -0.178 0.000 0.984 331 E CB 1.145 30.790 29.700 -0.092 0.000 1.401 331 E HN 0.548 nan 8.360 nan 0.000 0.388 332 P HA 0.028 nan 4.420 nan 0.000 0.271 332 P C -0.392 176.763 177.300 -0.241 0.000 1.216 332 P CA -0.002 62.957 63.100 -0.235 0.000 0.771 332 P CB 0.761 32.223 31.700 -0.398 0.000 0.864 333 E N 2.495 122.604 120.200 -0.151 0.000 2.070 333 E HA 0.124 4.480 4.350 0.010 0.000 0.282 333 E C 0.321 176.831 176.600 -0.149 0.000 1.104 333 E CA -0.188 56.138 56.400 -0.124 0.000 0.876 333 E CB -0.109 29.550 29.700 -0.068 0.000 1.055 333 E HN 0.400 nan 8.360 nan 0.000 0.401 334 L N 3.415 124.533 121.223 -0.175 0.000 2.362 334 L HA 0.472 4.818 4.340 0.010 0.000 0.204 334 L C 1.112 177.931 176.870 -0.085 0.000 1.060 334 L CA 0.468 55.198 54.840 -0.184 0.000 0.827 334 L CB 0.322 42.212 42.059 -0.281 0.000 1.027 334 L HN 0.707 nan 8.230 nan 0.000 0.474 335 G N -0.501 108.264 108.800 -0.057 0.000 2.343 335 G HA2 0.179 4.145 3.960 0.010 0.000 0.289 335 G HA3 0.179 4.145 3.960 0.010 0.000 0.289 335 G C -1.748 173.154 174.900 0.002 0.000 1.295 335 G CA -0.911 44.180 45.100 -0.015 0.000 0.869 335 G HN -0.134 nan 8.290 nan 0.000 0.522 336 L N 1.341 122.579 121.223 0.026 0.000 2.313 336 L HA 0.476 4.822 4.340 0.010 0.000 0.282 336 L C 1.380 178.296 176.870 0.076 0.000 1.092 336 L CA 0.987 55.852 54.840 0.043 0.000 0.831 336 L CB 0.954 43.044 42.059 0.050 0.000 1.159 336 L HN 1.928 nan 8.230 nan 0.000 0.442 337 G N 3.401 112.240 108.800 0.066 0.000 2.248 337 G HA2 -0.154 3.813 3.960 0.010 0.000 0.252 337 G HA3 -0.154 3.813 3.960 0.010 0.000 0.252 337 G C -2.410 172.541 174.900 0.086 0.000 1.085 337 G CA -0.926 44.228 45.100 0.091 0.000 0.845 337 G HN 0.428 nan 8.290 nan 0.000 0.494 338 P HA 0.262 nan 4.420 nan 0.000 0.266 338 P C 0.947 178.252 177.300 0.009 0.000 1.215 338 P CA -0.004 63.118 63.100 0.037 0.000 0.763 338 P CB 1.064 32.764 31.700 -0.000 0.000 0.806 339 L N 2.731 123.962 121.223 0.014 0.000 2.515 339 L HA 0.224 4.570 4.340 0.010 0.000 0.202 339 L C 1.053 177.629 176.870 -0.490 0.000 1.056 339 L CA 0.496 55.254 54.840 -0.138 0.000 0.847 339 L CB -0.016 42.030 42.059 -0.023 0.000 1.131 339 L HN 0.471 nan 8.230 nan 0.000 0.484 340 H N -1.077 118.075 119.070 0.137 0.000 2.985 340 H HA 0.458 5.020 4.556 0.010 0.000 0.360 340 H C -1.158 174.238 175.328 0.112 0.000 1.221 340 H CA -0.489 55.625 56.048 0.111 0.000 1.121 340 H CB 2.249 32.059 29.762 0.079 0.000 1.854 340 H HN -0.192 nan 8.280 nan 0.000 0.551 341 T N 1.029 115.698 114.554 0.192 0.000 2.881 341 T HA 0.633 4.990 4.350 0.010 0.000 0.290 341 T C -0.327 174.203 174.700 -0.283 0.000 1.000 341 T CA -0.676 61.412 62.100 -0.021 0.000 0.978 341 T CB 1.819 70.665 68.868 -0.037 0.000 0.997 341 T HN 0.724 nan 8.240 nan 0.000 0.443 342 A N 2.582 125.207 122.820 -0.325 0.000 2.354 342 A HA 0.976 5.302 4.320 0.010 0.000 0.321 342 A C -1.409 175.887 177.584 -0.480 0.000 1.125 342 A CA -0.771 51.066 52.037 -0.333 0.000 0.799 342 A CB 0.927 19.921 19.000 -0.010 0.000 1.293 342 A HN 0.716 nan 8.150 nan 0.000 0.452 343 F N 0.607 120.683 119.950 0.210 0.000 2.540 343 F HA 0.435 4.968 4.527 0.011 0.000 0.317 343 F C 0.196 176.105 175.800 0.181 0.000 1.104 343 F CA -0.748 57.356 58.000 0.174 0.000 0.913 343 F CB 1.973 41.028 39.000 0.093 0.000 1.170 343 F HN 0.741 nan 8.300 nan 0.000 0.450 344 D N 0.463 121.100 120.400 0.396 0.000 2.478 344 D HA 0.366 5.013 4.640 0.010 0.000 0.274 344 D C 0.990 177.395 176.300 0.175 0.000 1.234 344 D CA -0.681 53.470 54.000 0.252 0.000 1.069 344 D CB 0.505 41.463 40.800 0.264 0.000 1.113 344 D HN 0.613 nan 8.370 nan 0.000 0.571 345 G N -1.609 107.258 108.800 0.111 0.000 3.371 345 G HA2 0.059 4.026 3.960 0.010 0.000 0.248 345 G HA3 0.059 4.026 3.960 0.010 0.000 0.248 345 G C 0.614 175.540 174.900 0.044 0.000 1.161 345 G CA -0.425 44.714 45.100 0.066 0.000 0.796 345 G HN 0.329 nan 8.290 nan 0.000 0.539 346 R N -0.422 120.110 120.500 0.053 0.000 2.577 346 R HA 0.298 4.644 4.340 0.010 0.000 0.344 346 R C 1.395 177.698 176.300 0.005 0.000 1.037 346 R CA 0.266 56.382 56.100 0.027 0.000 1.102 346 R CB 0.809 31.130 30.300 0.035 0.000 1.313 346 R HN 0.225 nan 8.270 nan 0.000 0.561 347 G N 1.075 109.875 108.800 0.000 0.000 2.148 347 G HA2 -0.258 3.708 3.960 0.010 0.000 0.254 347 G HA3 -0.258 3.708 3.960 0.010 0.000 0.254 347 G C -0.306 174.538 174.900 -0.093 0.000 0.981 347 G CA -0.214 44.865 45.100 -0.035 0.000 0.670 347 G HN 0.282 nan 8.290 nan 0.000 0.528 348 N N 0.565 119.211 118.700 -0.090 0.000 2.487 348 N HA 0.704 5.451 4.740 0.010 0.000 0.292 348 N C 0.131 175.428 175.510 -0.355 0.000 1.108 348 N CA 0.556 53.434 53.050 -0.287 0.000 0.956 348 N CB 1.743 40.050 38.487 -0.300 0.000 1.176 348 N HN 0.725 nan 8.380 nan 0.000 0.484 349 A N 1.506 123.838 122.820 -0.813 0.000 2.365 349 A HA 0.672 4.998 4.320 0.010 0.000 0.318 349 A C -1.625 175.381 177.584 -0.964 0.000 1.091 349 A CA -0.551 50.969 52.037 -0.862 0.000 0.763 349 A CB 0.653 18.836 19.000 -1.361 0.000 1.248 349 A HN 0.604 nan 8.150 nan 0.000 0.442 350 Y N 0.638 120.755 120.300 -0.305 0.000 2.331 350 Y HA 0.548 5.104 4.550 0.010 0.000 0.334 350 Y C 0.454 176.378 175.900 0.042 0.000 0.960 350 Y CA -0.359 57.707 58.100 -0.057 0.000 1.130 350 Y CB 2.420 40.861 38.460 -0.032 0.000 1.164 350 Y HN 0.552 nan 8.280 nan 0.000 0.458 351 T N 2.595 117.344 114.554 0.325 0.000 2.807 351 T HA 0.386 4.742 4.350 0.010 0.000 0.279 351 T C -0.400 174.438 174.700 0.229 0.000 0.993 351 T CA -0.997 61.279 62.100 0.294 0.000 0.970 351 T CB 0.776 69.867 68.868 0.372 0.000 0.950 351 T HN 0.612 nan 8.240 nan 0.000 0.441 352 S N 3.602 119.426 115.700 0.208 0.000 2.513 352 S HA 0.545 5.021 4.470 0.010 0.000 0.276 352 S C -0.235 174.464 174.600 0.165 0.000 1.254 352 S CA -0.902 57.412 58.200 0.190 0.000 1.053 352 S CB 0.140 63.475 63.200 0.226 0.000 0.958 352 S HN 0.570 nan 8.310 nan 0.000 0.491 353 L N 4.054 125.363 121.223 0.143 0.000 2.313 353 L HA 0.397 4.743 4.340 0.010 0.000 0.273 353 L C 0.750 177.713 176.870 0.156 0.000 1.028 353 L CA -0.643 54.276 54.840 0.132 0.000 0.871 353 L CB 0.375 42.489 42.059 0.090 0.000 1.242 353 L HN 0.761 nan 8.230 nan 0.000 0.434 354 F N 2.646 122.624 119.950 0.046 0.000 2.043 354 F HA -0.290 4.243 4.527 0.009 0.000 0.297 354 F C 1.849 177.686 175.800 0.062 0.000 1.118 354 F CA 2.052 60.080 58.000 0.046 0.000 1.202 354 F CB 0.148 39.156 39.000 0.013 0.000 0.965 354 F HN 0.373 nan 8.300 nan 0.000 0.482 355 L N -0.549 120.836 121.223 0.269 0.000 2.072 355 L HA -0.176 4.170 4.340 0.010 0.000 0.205 355 L C 1.887 178.798 176.870 0.069 0.000 1.079 355 L CA 1.304 56.245 54.840 0.169 0.000 0.752 355 L CB -0.723 41.443 42.059 0.178 0.000 0.906 355 L HN 0.057 nan 8.230 nan 0.000 0.436 356 D N -0.548 119.893 120.400 0.068 0.000 2.347 356 D HA -0.082 4.564 4.640 0.010 0.000 0.215 356 D C 1.086 177.412 176.300 0.044 0.000 0.976 356 D CA 0.508 54.537 54.000 0.049 0.000 0.884 356 D CB 0.200 41.028 40.800 0.048 0.000 0.915 356 D HN 0.117 nan 8.370 nan 0.000 0.526 357 S N -0.060 115.657 115.700 0.029 0.000 3.711 357 S HA -0.217 4.259 4.470 0.010 0.000 0.374 357 S C -0.291 174.335 174.600 0.044 0.000 0.969 357 S CA 0.470 58.682 58.200 0.021 0.000 1.198 357 S CB -1.217 62.017 63.200 0.058 0.000 0.903 357 S HN 0.389 nan 8.310 nan 0.000 0.493 358 Q N -0.185 119.649 119.800 0.057 0.000 2.456 358 Q HA 0.677 5.023 4.340 0.010 0.000 0.284 358 Q C -0.843 175.215 176.000 0.097 0.000 1.061 358 Q CA -1.021 54.824 55.803 0.070 0.000 0.799 358 Q CB 2.126 30.906 28.738 0.070 0.000 1.445 358 Q HN 0.220 nan 8.270 nan 0.000 0.411 359 V N 1.471 121.453 119.914 0.114 0.000 2.481 359 V HA 0.394 4.520 4.120 0.010 0.000 0.286 359 V C -0.492 175.704 176.094 0.171 0.000 1.042 359 V CA -0.606 61.790 62.300 0.160 0.000 0.928 359 V CB 1.593 33.523 31.823 0.178 0.000 0.986 359 V HN 0.494 nan 8.190 nan 0.000 0.462 360 V N 4.667 124.701 119.914 0.200 0.000 2.384 360 V HA 0.401 4.527 4.120 0.010 0.000 0.287 360 V C 0.078 176.336 176.094 0.273 0.000 1.020 360 V CA -0.911 61.511 62.300 0.203 0.000 0.850 360 V CB 1.414 33.329 31.823 0.153 0.000 0.987 360 V HN 0.857 nan 8.190 nan 0.000 0.436 361 K N 6.299 126.806 120.400 0.179 0.000 2.205 361 K HA 0.470 4.796 4.320 0.010 0.000 0.279 361 K C -1.077 175.597 176.600 0.124 0.000 1.027 361 K CA -0.502 55.767 56.287 -0.029 0.000 0.932 361 K CB 1.012 33.484 32.500 -0.047 0.000 1.032 361 K HN 0.845 nan 8.250 nan 0.000 0.466 362 W N 2.889 124.050 121.300 -0.232 0.000 3.248 362 W HA 0.294 4.960 4.660 0.010 0.000 0.311 362 W C -1.841 174.599 176.519 -0.132 0.000 1.258 362 W CA -0.931 56.334 57.345 -0.132 0.000 1.191 362 W CB 0.216 29.628 29.460 -0.080 0.000 1.389 362 W HN 0.465 nan 8.180 nan 0.000 0.561 363 N N 1.999 120.719 118.700 0.034 0.000 2.419 363 N HA 0.280 5.026 4.740 0.010 0.000 0.277 363 N C 0.735 176.233 175.510 -0.020 0.000 1.006 363 N CA -0.286 52.710 53.050 -0.090 0.000 0.923 363 N CB 1.470 39.947 38.487 -0.016 0.000 1.140 363 N HN 0.516 nan 8.380 nan 0.000 0.488 364 I N 2.313 122.776 120.570 -0.179 0.000 2.113 364 I HA -0.253 3.924 4.170 0.010 0.000 0.238 364 I C 1.412 177.505 176.117 -0.040 0.000 1.070 364 I CA 1.023 62.253 61.300 -0.117 0.000 1.332 364 I CB -0.077 37.803 38.000 -0.200 0.000 1.044 364 I HN 0.497 nan 8.210 nan 0.000 0.402 365 D N 0.743 121.119 120.400 -0.039 0.000 2.117 365 D HA -0.189 4.457 4.640 0.010 0.000 0.197 365 D C 2.104 178.415 176.300 0.019 0.000 0.987 365 D CA 1.212 55.205 54.000 -0.011 0.000 0.829 365 D CB -0.293 40.513 40.800 0.010 0.000 0.961 365 D HN 0.396 nan 8.370 nan 0.000 0.460 366 E N 0.365 120.587 120.200 0.037 0.000 2.118 366 E HA -0.138 4.218 4.350 0.010 0.000 0.195 366 E C 2.055 178.704 176.600 0.082 0.000 0.992 366 E CA 0.964 57.398 56.400 0.057 0.000 0.804 366 E CB -0.027 29.709 29.700 0.061 0.000 0.741 366 E HN 0.207 nan 8.360 nan 0.000 0.458 367 A N 0.769 123.663 122.820 0.124 0.000 1.972 367 A HA -0.159 4.167 4.320 0.010 0.000 0.219 367 A C 2.083 179.720 177.584 0.087 0.000 1.169 367 A CA 0.970 53.087 52.037 0.134 0.000 0.635 367 A CB -0.432 18.722 19.000 0.256 0.000 0.810 367 A HN 0.172 nan 8.150 nan 0.000 0.446 368 I N -1.207 119.390 120.570 0.045 0.000 2.439 368 I HA -0.206 3.971 4.170 0.010 0.000 0.251 368 I C 2.712 178.883 176.117 0.089 0.000 1.139 368 I CA 1.040 62.360 61.300 0.033 0.000 1.438 368 I CB -0.228 37.748 38.000 -0.040 0.000 1.085 368 I HN 0.282 nan 8.210 nan 0.000 0.427 369 R N 0.721 121.263 120.500 0.069 0.000 2.073 369 R HA 0.002 4.348 4.340 0.010 0.000 0.229 369 R C 2.440 178.780 176.300 0.067 0.000 1.120 369 R CA 1.227 57.364 56.100 0.062 0.000 0.967 369 R CB -0.415 29.911 30.300 0.043 0.000 0.862 369 R HN 0.278 nan 8.270 nan 0.000 0.436 370 A N 0.174 123.039 122.820 0.076 0.000 2.019 370 A HA -0.206 4.120 4.320 0.010 0.000 0.219 370 A C 1.838 179.477 177.584 0.092 0.000 1.164 370 A CA 1.099 53.178 52.037 0.069 0.000 0.644 370 A CB -0.493 18.547 19.000 0.066 0.000 0.805 370 A HN 0.444 nan 8.150 nan 0.000 0.449 371 Y N -0.121 120.174 120.300 -0.008 0.000 2.365 371 Y HA 0.234 4.791 4.550 0.010 0.000 0.293 371 Y C 2.402 178.297 175.900 -0.009 0.000 1.119 371 Y CA 0.607 58.699 58.100 -0.013 0.000 1.203 371 Y CB -0.196 38.255 38.460 -0.015 0.000 1.026 371 Y HN 0.271 nan 8.280 nan 0.000 0.549 372 A N -0.538 122.325 122.820 0.072 0.000 2.209 372 A HA 0.274 4.600 4.320 0.010 0.000 0.212 372 A C 1.854 179.415 177.584 -0.039 0.000 1.158 372 A CA 1.153 53.191 52.037 0.001 0.000 0.742 372 A CB -1.181 17.847 19.000 0.046 0.000 0.790 372 A HN 0.869 nan 8.150 nan 0.000 0.472 373 G N -1.301 107.476 108.800 -0.039 0.000 2.168 373 G HA2 -0.156 3.810 3.960 0.010 0.000 0.197 373 G HA3 -0.156 3.810 3.960 0.010 0.000 0.197 373 G C -0.172 174.718 174.900 -0.016 0.000 0.997 373 G CA 0.038 45.112 45.100 -0.044 0.000 0.658 373 G HN 0.486 nan 8.290 nan 0.000 0.513 374 E N 1.016 121.217 120.200 0.002 0.000 2.415 374 E HA 0.152 4.509 4.350 0.010 0.000 0.263 374 E C 0.103 176.708 176.600 0.008 0.000 0.995 374 E CA -0.017 56.387 56.400 0.008 0.000 0.915 374 E CB 0.443 30.153 29.700 0.018 0.000 0.951 374 E HN -0.010 nan 8.360 nan 0.000 0.449 375 K N 3.811 124.214 120.400 0.004 0.000 2.110 375 K HA 0.240 4.567 4.320 0.010 0.000 0.260 375 K C -0.146 176.461 176.600 0.012 0.000 1.126 375 K CA 0.157 56.447 56.287 0.005 0.000 1.005 375 K CB -0.555 31.946 32.500 0.002 0.000 1.336 375 K HN 0.464 nan 8.250 nan 0.000 0.369 376 I N 1.409 121.989 120.570 0.018 0.000 2.827 376 I HA 0.205 4.381 4.170 0.010 0.000 0.298 376 I C -1.274 174.860 176.117 0.028 0.000 1.235 376 I CA -0.828 60.486 61.300 0.023 0.000 1.021 376 I CB 2.263 40.280 38.000 0.028 0.000 1.259 376 I HN 0.224 nan 8.210 nan 0.000 0.427 377 N N 7.779 126.497 118.700 0.030 0.000 2.457 377 N HA 0.449 5.196 4.740 0.010 0.000 0.250 377 N C -1.983 173.558 175.510 0.052 0.000 0.982 377 N CA -2.303 50.767 53.050 0.033 0.000 0.941 377 N CB 1.604 40.107 38.487 0.026 0.000 1.120 377 N HN 0.322 nan 8.380 nan 0.000 0.505 378 P HA 0.033 nan 4.420 nan 0.000 0.227 378 P C 0.231 177.626 177.300 0.160 0.000 1.161 378 P CA 0.521 63.696 63.100 0.125 0.000 0.788 378 P CB 0.490 32.294 31.700 0.174 0.000 0.822 379 I N 1.064 121.704 120.570 0.117 0.000 2.581 379 I HA -0.007 4.170 4.170 0.010 0.000 0.285 379 I C 1.541 177.712 176.117 0.089 0.000 1.129 379 I CA 0.040 61.412 61.300 0.121 0.000 1.397 379 I CB 0.542 38.577 38.000 0.058 0.000 1.399 379 I HN -0.188 nan 8.210 nan 0.000 0.537 380 K N 3.332 123.786 120.400 0.090 0.000 2.276 380 K HA 0.218 4.544 4.320 0.010 0.000 0.198 380 K C -0.084 176.553 176.600 0.061 0.000 1.052 380 K CA 0.493 56.816 56.287 0.059 0.000 0.984 380 K CB 0.047 32.568 32.500 0.035 0.000 0.836 380 K HN 0.605 nan 8.250 nan 0.000 0.490 381 D N -0.483 119.963 120.400 0.077 0.000 2.685 381 D HA 0.257 4.903 4.640 0.010 0.000 0.236 381 D C -1.723 174.634 176.300 0.095 0.000 1.233 381 D CA -0.426 53.622 54.000 0.080 0.000 0.760 381 D CB 1.294 42.147 40.800 0.088 0.000 1.410 381 D HN -0.251 nan 8.370 nan 0.000 0.439 382 K N 1.555 122.004 120.400 0.082 0.000 2.397 382 K HA 0.602 4.928 4.320 0.010 0.000 0.253 382 K C -1.245 175.403 176.600 0.080 0.000 0.932 382 K CA -0.998 55.341 56.287 0.086 0.000 0.795 382 K CB 2.329 34.870 32.500 0.068 0.000 1.159 382 K HN 0.281 nan 8.250 nan 0.000 0.424 383 L N 2.925 124.202 121.223 0.090 0.000 2.313 383 L HA 0.324 4.670 4.340 0.010 0.000 0.283 383 L C -0.934 175.972 176.870 0.061 0.000 1.013 383 L CA -0.295 54.589 54.840 0.074 0.000 0.816 383 L CB 1.171 43.280 42.059 0.084 0.000 1.236 383 L HN 0.511 nan 8.230 nan 0.000 0.419 384 D N 4.248 124.674 120.400 0.044 0.000 2.417 384 D HA 0.322 4.968 4.640 0.010 0.000 0.250 384 D C -0.076 176.228 176.300 0.007 0.000 1.166 384 D CA 0.331 54.351 54.000 0.033 0.000 0.881 384 D CB 1.353 42.172 40.800 0.032 0.000 1.164 384 D HN 0.402 nan 8.370 nan 0.000 0.467 385 V N 0.391 120.302 119.914 -0.004 0.000 3.103 385 V HA 0.667 4.793 4.120 0.010 0.000 0.318 385 V C -0.747 175.253 176.094 -0.157 0.000 1.114 385 V CA -0.956 61.310 62.300 -0.056 0.000 1.020 385 V CB 2.081 33.898 31.823 -0.010 0.000 1.085 385 V HN 0.232 nan 8.190 nan 0.000 0.446 386 Q N 1.203 120.813 119.800 -0.317 0.000 2.695 386 Q HA 0.679 5.025 4.340 0.010 0.000 0.246 386 Q C -1.791 173.866 176.000 -0.572 0.000 0.961 386 Q CA 0.099 55.369 55.803 -0.888 0.000 0.708 386 Q CB 1.519 29.623 28.738 -1.057 0.000 1.282 386 Q HN 0.829 nan 8.270 nan 0.000 0.482 387 Y N 0.084 120.402 120.300 0.031 0.000 2.562 387 Y HA 0.427 4.983 4.550 0.011 0.000 0.345 387 Y C -0.373 175.478 175.900 -0.083 0.000 1.045 387 Y CA -1.401 56.707 58.100 0.014 0.000 1.028 387 Y CB 1.909 40.428 38.460 0.100 0.000 1.297 387 Y HN 0.270 nan 8.280 nan 0.000 0.463 388 Q N 1.017 120.793 119.800 -0.041 0.000 2.438 388 Q HA -0.137 4.210 4.340 0.010 0.000 0.356 388 Q C -2.777 173.021 176.000 -0.338 0.000 1.438 388 Q CA 0.064 55.563 55.803 -0.506 0.000 0.973 388 Q CB -1.023 27.185 28.738 -0.884 0.000 1.151 388 Q HN 0.262 nan 8.270 nan 0.000 0.328 389 P HA 0.169 nan 4.420 nan 0.000 0.276 389 P C 0.499 177.938 177.300 0.231 0.000 1.230 389 P CA 0.468 63.603 63.100 0.058 0.000 0.776 389 P CB 1.515 33.270 31.700 0.091 0.000 0.888 390 G N 2.872 111.811 108.800 0.232 0.000 3.226 390 G HA2 0.115 4.081 3.960 0.010 0.000 0.190 390 G HA3 0.115 4.081 3.960 0.010 0.000 0.190 390 G C 0.160 175.238 174.900 0.295 0.000 1.988 390 G CA -0.051 45.231 45.100 0.305 0.000 0.859 390 G HN 0.547 nan 8.290 nan 0.000 0.631 391 H N 0.241 119.367 119.070 0.093 0.000 2.679 391 H HA 0.441 5.003 4.556 0.010 0.000 0.369 391 H C 0.045 175.385 175.328 0.019 0.000 1.178 391 H CA 0.612 56.592 56.048 -0.114 0.000 1.419 391 H CB 1.223 30.851 29.762 -0.223 0.000 1.458 391 H HN 0.413 nan 8.280 nan 0.000 0.605 392 L N -0.559 120.770 121.223 0.177 0.000 2.469 392 L HA 0.755 5.102 4.340 0.010 0.000 0.256 392 L C -1.317 175.598 176.870 0.074 0.000 1.006 392 L CA -1.105 53.800 54.840 0.107 0.000 0.832 392 L CB 2.527 44.660 42.059 0.122 0.000 1.421 392 L HN 0.292 nan 8.230 nan 0.000 0.410 393 K N 1.026 121.440 120.400 0.024 0.000 2.561 393 K HA 0.516 4.842 4.320 0.010 0.000 0.254 393 K C -0.722 175.882 176.600 0.006 0.000 0.942 393 K CA 0.005 56.306 56.287 0.022 0.000 0.818 393 K CB 2.031 34.524 32.500 -0.011 0.000 1.306 393 K HN 0.968 nan 8.250 nan 0.000 0.435 394 T N -0.861 113.702 114.554 0.016 0.000 2.788 394 T HA 0.414 4.770 4.350 0.010 0.000 0.280 394 T C 0.080 174.794 174.700 0.022 0.000 0.984 394 T CA -0.863 61.236 62.100 -0.001 0.000 0.972 394 T CB 0.854 69.727 68.868 0.009 0.000 1.039 394 T HN 0.179 nan 8.240 nan 0.000 0.530 395 V N 3.040 122.939 119.914 -0.026 0.000 2.485 395 V HA 0.070 4.196 4.120 0.010 0.000 0.287 395 V C 1.208 177.307 176.094 0.008 0.000 1.022 395 V CA 0.135 62.373 62.300 -0.104 0.000 1.067 395 V CB -0.665 30.919 31.823 -0.398 0.000 0.967 395 V HN 1.012 nan 8.190 nan 0.000 0.479 396 M N 3.172 122.830 119.600 0.097 0.000 2.333 396 M HA -0.223 4.264 4.480 0.010 0.000 0.199 396 M C 1.468 177.827 176.300 0.098 0.000 0.376 396 M CA 0.964 56.330 55.300 0.111 0.000 0.440 396 M CB -1.485 31.158 32.600 0.072 0.000 1.506 396 M HN 0.839 nan 8.290 nan 0.000 0.889 397 G N 0.242 109.141 108.800 0.166 0.000 2.498 397 G HA2 -0.131 3.835 3.960 0.010 0.000 0.219 397 G HA3 -0.131 3.835 3.960 0.010 0.000 0.219 397 G C 1.032 176.129 174.900 0.328 0.000 1.119 397 G CA 0.921 46.166 45.100 0.242 0.000 0.766 397 G HN 0.715 nan 8.290 nan 0.000 0.552 398 E N -0.069 120.313 120.200 0.302 0.000 2.444 398 E HA 0.146 4.502 4.350 0.010 0.000 0.191 398 E C 0.875 177.707 176.600 0.387 0.000 1.041 398 E CA 0.049 56.674 56.400 0.376 0.000 0.883 398 E CB 0.543 30.510 29.700 0.445 0.000 1.024 398 E HN 0.448 nan 8.360 nan 0.000 0.470 399 T N -3.504 111.185 114.554 0.225 0.000 2.883 399 T HA 0.343 4.699 4.350 0.010 0.000 0.284 399 T C 0.914 175.794 174.700 0.300 0.000 1.041 399 T CA -0.796 61.471 62.100 0.278 0.000 1.007 399 T CB 0.890 69.628 68.868 -0.217 0.000 1.220 399 T HN -0.038 nan 8.240 nan 0.000 0.552 400 L N 0.028 121.422 121.223 0.284 0.000 2.465 400 L HA 0.087 4.433 4.340 0.010 0.000 0.224 400 L C 1.207 178.115 176.870 0.064 0.000 1.145 400 L CA 0.791 55.688 54.840 0.094 0.000 0.834 400 L CB -0.348 41.769 42.059 0.097 0.000 0.944 400 L HN 0.652 nan 8.230 nan 0.000 0.451 401 D N 0.913 121.356 120.400 0.071 0.000 2.336 401 D HA 0.138 4.784 4.640 0.010 0.000 0.228 401 D C 0.963 177.305 176.300 0.070 0.000 1.120 401 D CA 0.100 54.138 54.000 0.064 0.000 0.839 401 D CB 0.162 41.000 40.800 0.064 0.000 0.932 401 D HN 0.136 nan 8.370 nan 0.000 0.509 402 A N 0.853 123.721 122.820 0.081 0.000 2.591 402 A HA 0.333 4.659 4.320 0.010 0.000 0.244 402 A C 0.717 178.352 177.584 0.084 0.000 1.031 402 A CA 0.329 52.427 52.037 0.101 0.000 0.767 402 A CB 0.178 19.265 19.000 0.145 0.000 0.942 402 A HN 0.231 nan 8.150 nan 0.000 0.514 403 A N 2.638 125.500 122.820 0.070 0.000 2.261 403 A HA 0.679 5.005 4.320 0.010 0.000 0.323 403 A C 0.613 178.222 177.584 0.042 0.000 1.107 403 A CA -0.740 51.331 52.037 0.057 0.000 0.883 403 A CB 0.621 19.648 19.000 0.045 0.000 1.251 403 A HN 0.797 nan 8.150 nan 0.000 0.502 404 N N -0.350 118.364 118.700 0.024 0.000 2.177 404 N HA 0.025 4.771 4.740 0.010 0.000 0.218 404 N C -0.316 175.150 175.510 -0.073 0.000 1.182 404 N CA 0.612 53.664 53.050 0.004 0.000 0.882 404 N CB 0.621 39.120 38.487 0.019 0.000 1.052 404 N HN 0.746 nan 8.380 nan 0.000 0.519 405 D N -0.735 119.594 120.400 -0.119 0.000 2.290 405 D HA -0.031 4.615 4.640 0.010 0.000 0.224 405 D C 0.209 176.225 176.300 -0.473 0.000 0.967 405 D CA 0.608 54.399 54.000 -0.349 0.000 0.893 405 D CB -0.216 40.371 40.800 -0.354 0.000 1.037 405 D HN 0.091 nan 8.370 nan 0.000 0.477 406 W N -0.234 121.035 121.300 -0.052 0.000 2.844 406 W HA 0.611 5.278 4.660 0.011 0.000 0.340 406 W C -1.112 175.332 176.519 -0.125 0.000 1.093 406 W CA -1.286 56.022 57.345 -0.063 0.000 1.212 406 W CB 1.944 31.386 29.460 -0.029 0.000 1.422 406 W HN -0.133 nan 8.180 nan 0.000 0.515 407 L N 2.812 124.152 121.223 0.194 0.000 2.408 407 L HA 0.780 5.127 4.340 0.010 0.000 0.268 407 L C -1.410 175.518 176.870 0.098 0.000 0.986 407 L CA -0.812 54.041 54.840 0.021 0.000 0.820 407 L CB 1.903 43.871 42.059 -0.153 0.000 1.303 407 L HN 0.210 nan 8.230 nan 0.000 0.411 408 V N 4.041 123.997 119.914 0.069 0.000 2.448 408 V HA 0.395 4.521 4.120 0.010 0.000 0.295 408 V C -0.594 175.546 176.094 0.077 0.000 1.025 408 V CA -0.573 61.788 62.300 0.102 0.000 0.859 408 V CB 1.512 33.415 31.823 0.134 0.000 0.988 408 V HN 0.910 nan 8.190 nan 0.000 0.431 409 C N 7.451 126.813 119.300 0.104 0.000 2.271 409 C HA 0.660 5.127 4.460 0.010 0.000 0.323 409 C C -0.127 174.930 174.990 0.111 0.000 1.245 409 C CA -0.688 58.389 59.018 0.099 0.000 1.548 409 C CB -0.572 27.222 27.740 0.090 0.000 2.214 409 C HN 0.786 nan 8.230 nan 0.000 0.477 410 L N 7.335 128.620 121.223 0.104 0.000 2.328 410 L HA 0.326 4.673 4.340 0.010 0.000 0.280 410 L C 0.558 177.477 176.870 0.082 0.000 1.111 410 L CA 0.256 55.160 54.840 0.107 0.000 0.909 410 L CB -0.327 41.774 42.059 0.070 0.000 1.277 410 L HN 0.663 nan 8.230 nan 0.000 0.433 411 C N 2.007 121.344 119.300 0.062 0.000 2.500 411 C HA 0.294 4.760 4.460 0.010 0.000 0.367 411 C C 1.742 176.699 174.990 -0.055 0.000 1.283 411 C CA -0.709 58.312 59.018 0.006 0.000 2.456 411 C CB 1.048 28.788 27.740 0.001 0.000 2.457 411 C HN 0.694 nan 8.230 nan 0.000 0.632 412 K N -0.001 120.278 120.400 -0.202 0.000 2.367 412 K HA 0.285 4.611 4.320 0.010 0.000 0.195 412 K C -0.402 175.801 176.600 -0.661 0.000 1.060 412 K CA 0.673 56.700 56.287 -0.434 0.000 1.022 412 K CB 0.129 32.309 32.500 -0.534 0.000 0.894 412 K HN 0.632 nan 8.250 nan 0.000 0.540 413 F N 0.042 120.048 119.950 0.094 0.000 2.563 413 F HA 0.166 4.699 4.527 0.011 0.000 0.316 413 F C 1.296 177.232 175.800 0.226 0.000 1.076 413 F CA -0.894 57.192 58.000 0.143 0.000 0.921 413 F CB 2.115 41.185 39.000 0.117 0.000 1.209 413 F HN -0.188 nan 8.300 nan 0.000 0.462 414 S N 0.054 116.018 115.700 0.441 0.000 2.524 414 S HA 0.208 4.684 4.470 0.010 0.000 0.222 414 S C 1.039 175.857 174.600 0.364 0.000 1.040 414 S CA 0.086 58.512 58.200 0.376 0.000 0.915 414 S CB 0.065 63.563 63.200 0.497 0.000 0.831 414 S HN 0.778 nan 8.310 nan 0.000 0.492 415 K N 1.461 122.049 120.400 0.313 0.000 7.614 415 K HA -0.287 4.039 4.320 0.010 0.000 0.367 415 K C 0.477 177.161 176.600 0.140 0.000 0.578 415 K CA 2.418 58.805 56.287 0.166 0.000 1.269 415 K CB -1.512 31.013 32.500 0.042 0.000 0.795 415 K HN 0.664 nan 8.250 nan 0.000 0.991 416 D N -0.109 120.380 120.400 0.150 0.000 2.433 416 D HA 0.040 4.686 4.640 0.010 0.000 0.211 416 D C 1.076 177.347 176.300 -0.048 0.000 1.114 416 D CA 0.007 54.043 54.000 0.060 0.000 0.837 416 D CB 0.203 41.035 40.800 0.053 0.000 0.984 416 D HN 0.176 nan 8.370 nan 0.000 0.505 417 R N 0.039 120.427 120.500 -0.187 0.000 2.237 417 R HA 0.141 4.487 4.340 0.010 0.000 0.219 417 R C 0.008 175.792 176.300 -0.859 0.000 1.080 417 R CA 0.479 56.209 56.100 -0.617 0.000 0.995 417 R CB -0.327 29.417 30.300 -0.927 0.000 0.875 417 R HN 0.268 nan 8.270 nan 0.000 0.462 418 F N -0.775 119.191 119.950 0.026 0.000 2.603 418 F HA 0.374 4.906 4.527 0.009 0.000 0.317 418 F C 0.433 176.246 175.800 0.022 0.000 1.066 418 F CA -1.367 56.642 58.000 0.014 0.000 0.941 418 F CB 0.932 39.942 39.000 0.017 0.000 1.291 418 F HN -0.350 nan 8.300 nan 0.000 0.472 419 L N 1.999 123.354 121.223 0.220 0.000 2.593 419 L HA -0.103 4.244 4.340 0.010 0.000 0.287 419 L C 0.335 177.284 176.870 0.132 0.000 1.243 419 L CA 0.145 55.063 54.840 0.129 0.000 0.890 419 L CB -0.078 42.037 42.059 0.095 0.000 1.134 419 L HN 0.553 nan 8.230 nan 0.000 0.502 420 N N 2.466 121.221 118.700 0.092 0.000 2.431 420 N HA 0.088 4.834 4.740 0.010 0.000 0.265 420 N C 0.331 175.883 175.510 0.070 0.000 1.184 420 N CA -0.264 52.836 53.050 0.083 0.000 0.943 420 N CB 1.204 39.726 38.487 0.057 0.000 1.080 420 N HN 0.395 nan 8.380 nan 0.000 0.477 421 V N 1.228 121.188 119.914 0.077 0.000 3.376 421 V HA 0.625 4.751 4.120 0.010 0.000 0.313 421 V C 0.978 177.108 176.094 0.059 0.000 1.393 421 V CA 0.320 62.657 62.300 0.062 0.000 1.125 421 V CB -0.810 31.050 31.823 0.061 0.000 1.037 421 V HN 0.801 nan 8.190 nan 0.000 0.440 422 G N 0.973 109.807 108.800 0.057 0.000 2.396 422 G HA2 -0.052 3.914 3.960 0.010 0.000 0.254 422 G HA3 -0.052 3.914 3.960 0.010 0.000 0.254 422 G C -2.182 172.750 174.900 0.052 0.000 1.248 422 G CA -0.149 44.981 45.100 0.050 0.000 1.033 422 G HN 0.212 nan 8.290 nan 0.000 0.502 423 P HA 0.198 nan 4.420 nan 0.000 0.222 423 P C 0.839 178.172 177.300 0.056 0.000 1.153 423 P CA 0.512 63.639 63.100 0.044 0.000 0.798 423 P CB 0.177 31.899 31.700 0.037 0.000 0.796 424 L N 0.269 121.531 121.223 0.065 0.000 2.290 424 L HA 0.319 4.666 4.340 0.010 0.000 0.284 424 L C -0.080 176.839 176.870 0.081 0.000 1.078 424 L CA -0.112 54.770 54.840 0.070 0.000 0.815 424 L CB 0.141 42.248 42.059 0.079 0.000 1.162 424 L HN -0.239 nan 8.230 nan 0.000 0.435 425 K N 5.917 126.368 120.400 0.086 0.000 2.328 425 K HA 0.613 4.939 4.320 0.010 0.000 0.246 425 K C -2.418 174.235 176.600 0.089 0.000 0.955 425 K CA -1.771 54.581 56.287 0.108 0.000 0.817 425 K CB 1.527 34.115 32.500 0.148 0.000 1.208 425 K HN 0.463 nan 8.250 nan 0.000 0.432 426 P HA 0.049 nan 4.420 nan 0.000 0.273 426 P C -0.643 176.706 177.300 0.083 0.000 1.250 426 P CA -0.238 62.878 63.100 0.027 0.000 0.793 426 P CB 0.530 32.170 31.700 -0.101 0.000 1.011 427 E N 0.443 120.669 120.200 0.043 0.000 2.376 427 E HA 0.170 4.526 4.350 0.010 0.000 0.254 427 E C 0.023 176.715 176.600 0.153 0.000 1.213 427 E CA -0.135 56.311 56.400 0.077 0.000 0.945 427 E CB 0.019 29.740 29.700 0.035 0.000 1.057 427 E HN 0.341 nan 8.360 nan 0.000 0.479 428 N N 1.526 120.330 118.700 0.174 0.000 2.617 428 N HA 0.105 4.851 4.740 0.010 0.000 0.263 428 N C -1.749 173.856 175.510 0.159 0.000 1.074 428 N CA -0.409 52.778 53.050 0.228 0.000 0.841 428 N CB 0.516 39.143 38.487 0.233 0.000 1.221 428 N HN 0.111 nan 8.380 nan 0.000 0.529 429 D N 2.228 122.741 120.400 0.188 0.000 2.380 429 D HA 0.148 4.795 4.640 0.010 0.000 0.230 429 D C 0.002 176.424 176.300 0.203 0.000 1.154 429 D CA 0.106 54.245 54.000 0.232 0.000 0.859 429 D CB 0.910 41.951 40.800 0.402 0.000 1.045 429 D HN 0.429 nan 8.370 nan 0.000 0.495 430 Q N 1.168 121.060 119.800 0.154 0.000 2.241 430 Q HA 0.410 4.756 4.340 0.010 0.000 0.254 430 Q C -0.475 175.610 176.000 0.141 0.000 0.917 430 Q CA -0.943 54.932 55.803 0.121 0.000 0.919 430 Q CB 2.203 30.977 28.738 0.061 0.000 1.237 430 Q HN 0.304 nan 8.270 nan 0.000 0.434 431 L N 3.964 125.275 121.223 0.146 0.000 2.275 431 L HA 0.485 4.831 4.340 0.010 0.000 0.288 431 L C -1.273 175.720 176.870 0.204 0.000 1.046 431 L CA 0.057 54.972 54.840 0.124 0.000 0.805 431 L CB 0.790 42.833 42.059 -0.027 0.000 1.193 431 L HN 0.551 nan 8.230 nan 0.000 0.426 432 I N 4.100 124.836 120.570 0.275 0.000 2.466 432 I HA 0.270 4.447 4.170 0.010 0.000 0.289 432 I C -0.900 175.429 176.117 0.354 0.000 1.026 432 I CA -0.745 60.708 61.300 0.255 0.000 1.078 432 I CB 1.915 39.995 38.000 0.133 0.000 1.249 432 I HN 0.501 nan 8.210 nan 0.000 0.429 433 D N 7.060 127.610 120.400 0.250 0.000 2.336 433 D HA 0.199 4.846 4.640 0.010 0.000 0.249 433 D C 0.607 176.865 176.300 -0.071 0.000 1.213 433 D CA -0.094 53.877 54.000 -0.048 0.000 0.870 433 D CB 0.854 41.581 40.800 -0.123 0.000 1.076 433 D HN 0.526 nan 8.370 nan 0.000 0.483 434 I N 1.012 121.501 120.570 -0.135 0.000 3.941 434 I HA 0.117 4.293 4.170 0.010 0.000 0.335 434 I C 1.387 177.460 176.117 -0.074 0.000 1.402 434 I CA -0.353 60.897 61.300 -0.083 0.000 1.112 434 I CB 0.077 37.963 38.000 -0.189 0.000 1.043 434 I HN 0.184 nan 8.210 nan 0.000 0.395 435 S N 0.991 116.598 115.700 -0.156 0.000 2.399 435 S HA 0.064 4.540 4.470 0.010 0.000 0.231 435 S C 1.205 175.773 174.600 -0.053 0.000 1.022 435 S CA 0.636 58.759 58.200 -0.128 0.000 0.983 435 S CB -0.787 62.296 63.200 -0.194 0.000 0.803 435 S HN 0.590 nan 8.310 nan 0.000 0.480 436 G N 0.127 108.907 108.800 -0.034 0.000 2.705 436 G HA2 0.453 4.420 3.960 0.010 0.000 0.299 436 G HA3 0.453 4.420 3.960 0.010 0.000 0.299 436 G C -0.267 174.648 174.900 0.026 0.000 1.315 436 G CA -0.253 44.844 45.100 -0.005 0.000 1.045 436 G HN 0.072 nan 8.290 nan 0.000 0.517 437 D N -0.218 120.197 120.400 0.026 0.000 2.104 437 D HA -0.034 4.612 4.640 0.010 0.000 0.194 437 D C 0.637 176.968 176.300 0.052 0.000 0.994 437 D CA 1.166 55.189 54.000 0.037 0.000 0.830 437 D CB 0.169 40.986 40.800 0.028 0.000 0.959 437 D HN 0.070 nan 8.370 nan 0.000 0.452 438 K N 0.748 121.175 120.400 0.046 0.000 2.159 438 K HA 0.362 4.688 4.320 0.010 0.000 0.266 438 K C 0.261 176.897 176.600 0.060 0.000 0.975 438 K CA -0.344 55.977 56.287 0.056 0.000 0.865 438 K CB 1.683 34.209 32.500 0.044 0.000 1.087 438 K HN 0.043 nan 8.250 nan 0.000 0.446 439 M N 1.733 121.383 119.600 0.084 0.000 2.233 439 M HA 0.226 4.712 4.480 0.010 0.000 0.350 439 M C -0.202 176.139 176.300 0.069 0.000 1.176 439 M CA -0.483 54.869 55.300 0.087 0.000 1.150 439 M CB 0.764 33.439 32.600 0.126 0.000 1.530 439 M HN 0.102 nan 8.290 nan 0.000 0.459 440 V N 3.774 123.727 119.914 0.065 0.000 2.623 440 V HA 0.308 4.434 4.120 0.010 0.000 0.304 440 V C -0.746 175.408 176.094 0.100 0.000 1.054 440 V CA -0.945 61.397 62.300 0.069 0.000 0.882 440 V CB 1.905 33.760 31.823 0.054 0.000 1.002 440 V HN 0.684 nan 8.190 nan 0.000 0.424 441 L N 6.080 127.355 121.223 0.087 0.000 2.418 441 L HA 0.363 4.710 4.340 0.010 0.000 0.274 441 L C 0.888 177.829 176.870 0.119 0.000 1.135 441 L CA 0.811 55.709 54.840 0.096 0.000 0.870 441 L CB 1.427 43.514 42.059 0.048 0.000 1.154 441 L HN 0.652 nan 8.230 nan 0.000 0.462 442 V N 2.847 122.867 119.914 0.177 0.000 3.455 442 V HA 0.329 4.456 4.120 0.010 0.000 0.250 442 V C 0.397 176.609 176.094 0.195 0.000 1.230 442 V CA 0.219 62.636 62.300 0.195 0.000 1.105 442 V CB -0.278 31.726 31.823 0.301 0.000 0.850 442 V HN 0.878 nan 8.190 nan 0.000 0.461 443 H N 0.400 119.497 119.070 0.045 0.000 2.865 443 H HA 0.491 5.053 4.556 0.011 0.000 0.362 443 H C -1.686 173.665 175.328 0.038 0.000 1.114 443 H CA -0.451 55.609 56.048 0.020 0.000 1.208 443 H CB 2.382 32.127 29.762 -0.029 0.000 1.727 443 H HN 0.322 nan 8.280 nan 0.000 0.534 444 D N 2.311 122.467 120.400 -0.408 0.000 2.274 444 D HA 0.294 4.940 4.640 0.010 0.000 0.239 444 D C 0.092 176.268 176.300 -0.206 0.000 1.104 444 D CA -0.023 53.862 54.000 -0.190 0.000 0.840 444 D CB 1.537 42.255 40.800 -0.136 0.000 1.100 444 D HN 0.644 nan 8.370 nan 0.000 0.477 445 G N 2.979 111.839 108.800 0.101 0.000 2.603 445 G HA2 0.428 4.394 3.960 0.010 0.000 0.324 445 G HA3 0.428 4.394 3.960 0.010 0.000 0.324 445 G C -2.645 172.279 174.900 0.041 0.000 1.178 445 G CA -1.375 43.801 45.100 0.126 0.000 1.023 445 G HN 0.181 nan 8.290 nan 0.000 0.482 446 P HA 0.232 nan 4.420 nan 0.000 0.276 446 P C -0.080 177.110 177.300 -0.183 0.000 1.235 446 P CA 0.149 62.995 63.100 -0.423 0.000 0.772 446 P CB 1.333 32.457 31.700 -0.960 0.000 0.871 447 T N 0.436 114.943 114.554 -0.078 0.000 2.909 447 T HA 0.499 4.856 4.350 0.010 0.000 0.299 447 T C -0.715 174.025 174.700 0.066 0.000 1.073 447 T CA -0.834 61.268 62.100 0.003 0.000 0.999 447 T CB 0.974 69.876 68.868 0.056 0.000 1.098 447 T HN 0.142 nan 8.240 nan 0.000 0.477 448 F N 3.220 123.156 119.950 -0.023 0.000 2.443 448 F HA 0.580 5.112 4.527 0.008 0.000 0.353 448 F C 0.938 176.761 175.800 0.038 0.000 1.101 448 F CA -0.586 57.415 58.000 0.002 0.000 1.226 448 F CB 0.165 39.165 39.000 0.000 0.000 1.140 448 F HN 1.061 nan 8.300 nan 0.000 0.557 449 A N 5.169 127.463 122.820 -0.877 0.000 2.589 449 A HA -0.018 4.308 4.320 0.010 0.000 0.265 449 A C 0.241 177.659 177.584 -0.277 0.000 0.973 449 A CA 0.924 52.605 52.037 -0.594 0.000 0.902 449 A CB -0.619 17.939 19.000 -0.737 0.000 0.846 449 A HN 0.831 nan 8.150 nan 0.000 0.489 450 E N 4.333 124.491 120.200 -0.070 0.000 2.448 450 E HA 0.342 4.698 4.350 0.010 0.000 0.288 450 E C -3.031 173.562 176.600 -0.013 0.000 0.936 450 E CA -1.918 54.432 56.400 -0.085 0.000 0.809 450 E CB 1.495 31.110 29.700 -0.141 0.000 1.408 450 E HN 0.389 nan 8.360 nan 0.000 0.393 451 P HA 0.027 nan 4.420 nan 0.000 0.266 451 P C -0.180 177.097 177.300 -0.038 0.000 1.195 451 P CA 0.234 63.406 63.100 0.120 0.000 0.768 451 P CB 0.689 32.553 31.700 0.272 0.000 0.838 452 H N 0.364 119.385 119.070 -0.082 0.000 2.429 452 H HA 0.170 4.732 4.556 0.010 0.000 0.303 452 H C 0.005 175.189 175.328 -0.240 0.000 1.201 452 H CA 0.425 56.457 56.048 -0.027 0.000 1.776 452 H CB 0.099 29.824 29.762 -0.062 0.000 1.505 452 H HN 0.403 nan 8.280 nan 0.000 0.631 453 D N -0.243 119.916 120.400 -0.402 0.000 2.326 453 D HA 0.576 5.222 4.640 0.010 0.000 0.248 453 D C -1.029 174.960 176.300 -0.518 0.000 1.001 453 D CA -0.497 53.115 54.000 -0.647 0.000 0.961 453 D CB 1.866 42.219 40.800 -0.745 0.000 1.183 453 D HN 0.503 nan 8.370 nan 0.000 0.502 454 A N 0.770 123.257 122.820 -0.556 0.000 2.606 454 A HA 0.697 5.024 4.320 0.010 0.000 0.293 454 A C -1.119 176.250 177.584 -0.359 0.000 1.082 454 A CA -0.723 50.918 52.037 -0.660 0.000 0.685 454 A CB 0.796 18.840 19.000 -1.592 0.000 1.284 454 A HN 0.572 nan 8.150 nan 0.000 0.408 455 I N -1.938 118.528 120.570 -0.174 0.000 2.846 455 I HA 0.951 5.127 4.170 0.010 0.000 0.307 455 I C -0.105 176.082 176.117 0.116 0.000 1.053 455 I CA -1.164 60.156 61.300 0.033 0.000 1.050 455 I CB 2.365 40.453 38.000 0.148 0.000 1.239 455 I HN 0.880 nan 8.210 nan 0.000 0.439 456 A N 3.786 126.700 122.820 0.156 0.000 2.359 456 A HA 0.830 5.156 4.320 0.010 0.000 0.303 456 A C -1.066 176.644 177.584 0.209 0.000 1.066 456 A CA -0.577 51.545 52.037 0.142 0.000 0.730 456 A CB 1.605 20.618 19.000 0.022 0.000 1.211 456 A HN 0.562 nan 8.150 nan 0.000 0.439 457 V N 1.347 121.443 119.914 0.303 0.000 2.789 457 V HA 0.548 4.674 4.120 0.010 0.000 0.311 457 V C 0.592 176.997 176.094 0.517 0.000 1.073 457 V CA -0.663 61.878 62.300 0.401 0.000 0.921 457 V CB 2.042 34.101 31.823 0.394 0.000 1.009 457 V HN 1.009 nan 8.190 nan 0.000 0.426 458 S N 4.580 120.577 115.700 0.495 0.000 2.549 458 S HA 0.235 4.711 4.470 0.010 0.000 0.279 458 S C -1.471 173.323 174.600 0.323 0.000 1.321 458 S CA -0.800 57.656 58.200 0.427 0.000 1.054 458 S CB 1.126 64.523 63.200 0.329 0.000 0.899 458 S HN 0.612 nan 8.310 nan 0.000 0.497 459 P HA -0.098 nan 4.420 nan 0.000 0.223 459 P C 1.499 178.897 177.300 0.164 0.000 1.144 459 P CA 1.089 64.375 63.100 0.310 0.000 0.783 459 P CB -0.117 31.707 31.700 0.206 0.000 0.771 460 S N -1.098 114.678 115.700 0.126 0.000 2.442 460 S HA -0.145 4.332 4.470 0.010 0.000 0.236 460 S C 1.666 176.313 174.600 0.078 0.000 1.007 460 S CA 1.066 59.318 58.200 0.086 0.000 0.965 460 S CB -1.356 61.892 63.200 0.081 0.000 0.773 460 S HN 0.024 nan 8.310 nan 0.000 0.504 461 I N 0.695 121.327 120.570 0.104 0.000 3.251 461 I HA 0.263 4.439 4.170 0.010 0.000 0.277 461 I C 0.431 176.543 176.117 -0.007 0.000 1.268 461 I CA 0.718 62.057 61.300 0.067 0.000 1.449 461 I CB -0.073 37.999 38.000 0.121 0.000 1.083 461 I HN 0.269 nan 8.210 nan 0.000 0.464 462 L N 2.079 123.297 121.223 -0.009 0.000 2.679 462 L HA 0.297 4.643 4.340 0.010 0.000 0.238 462 L C -1.311 175.524 176.870 -0.058 0.000 1.330 462 L CA -0.673 54.115 54.840 -0.087 0.000 0.935 462 L CB 0.445 42.393 42.059 -0.184 0.000 1.243 462 L HN -0.001 nan 8.230 nan 0.000 0.484 463 P HA -0.083 nan 4.420 nan 0.000 0.229 463 P C 0.661 177.918 177.300 -0.071 0.000 1.160 463 P CA 0.892 63.965 63.100 -0.046 0.000 0.777 463 P CB 0.401 32.078 31.700 -0.038 0.000 0.814 464 N N 0.133 118.769 118.700 -0.108 0.000 2.251 464 N HA 0.129 4.876 4.740 0.010 0.000 0.217 464 N C 0.154 175.574 175.510 -0.149 0.000 1.124 464 N CA -0.350 52.626 53.050 -0.123 0.000 0.843 464 N CB 0.037 38.438 38.487 -0.143 0.000 1.024 464 N HN 0.153 nan 8.380 nan 0.000 0.501 465 I N 2.352 122.835 120.570 -0.144 0.000 2.662 465 I HA -0.050 4.127 4.170 0.010 0.000 0.285 465 I C 1.043 177.079 176.117 -0.136 0.000 1.161 465 I CA 0.221 61.426 61.300 -0.158 0.000 1.415 465 I CB 0.399 38.319 38.000 -0.133 0.000 1.385 465 I HN -0.120 nan 8.210 nan 0.000 0.552 466 R N 3.931 124.323 120.500 -0.181 0.000 2.649 466 R HA 0.242 4.589 4.340 0.010 0.000 0.270 466 R C 0.766 176.982 176.300 -0.141 0.000 1.105 466 R CA -0.439 55.559 56.100 -0.170 0.000 1.193 466 R CB 0.591 30.745 30.300 -0.243 0.000 1.120 466 R HN 0.589 nan 8.270 nan 0.000 0.561 467 S N -0.256 115.381 115.700 -0.105 0.000 2.566 467 S HA 0.066 4.542 4.470 0.010 0.000 0.234 467 S C 0.509 175.068 174.600 -0.067 0.000 1.075 467 S CA 0.024 58.182 58.200 -0.070 0.000 0.926 467 S CB 0.612 63.792 63.200 -0.033 0.000 0.811 467 S HN 0.520 nan 8.310 nan 0.000 0.518 468 V N -1.957 117.929 119.914 -0.047 0.000 3.155 468 V HA 0.722 4.848 4.120 0.010 0.000 0.313 468 V C -1.355 174.753 176.094 0.024 0.000 1.162 468 V CA -1.575 60.742 62.300 0.029 0.000 1.048 468 V CB 0.661 32.543 31.823 0.099 0.000 1.092 468 V HN 0.393 nan 8.190 nan 0.000 0.447 469 W N -0.004 121.342 121.300 0.077 0.000 2.129 469 W HA 0.549 5.215 4.660 0.010 0.000 0.349 469 W C 0.171 176.765 176.519 0.125 0.000 1.279 469 W CA 0.577 58.004 57.345 0.137 0.000 1.306 469 W CB 0.299 29.946 29.460 0.311 0.000 1.140 469 W HN 0.824 nan 8.180 nan 0.000 0.613 470 D N 0.475 121.107 120.400 0.386 0.000 2.210 470 D HA 0.170 4.816 4.640 0.010 0.000 0.249 470 D C 1.344 177.856 176.300 0.354 0.000 1.078 470 D CA -0.394 53.760 54.000 0.256 0.000 0.875 470 D CB 0.996 41.867 40.800 0.118 0.000 1.175 470 D HN 0.067 nan 8.370 nan 0.000 0.440 471 R N 2.478 123.161 120.500 0.304 0.000 2.127 471 R HA -0.124 4.223 4.340 0.010 0.000 0.238 471 R C 0.461 176.977 176.300 0.360 0.000 1.134 471 R CA 1.096 57.426 56.100 0.383 0.000 0.975 471 R CB -0.670 29.766 30.300 0.226 0.000 0.865 471 R HN 0.589 nan 8.270 nan 0.000 0.447 472 N N 1.146 119.922 118.700 0.126 0.000 2.346 472 N HA -0.019 4.727 4.740 0.010 0.000 0.225 472 N C -0.300 175.067 175.510 -0.240 0.000 1.144 472 N CA -0.192 52.848 53.050 -0.016 0.000 0.837 472 N CB 0.238 38.721 38.487 -0.008 0.000 1.069 472 N HN 0.101 nan 8.380 nan 0.000 0.487 473 D N 1.598 121.697 120.400 -0.500 0.000 2.455 473 D HA -0.005 4.641 4.640 0.010 0.000 0.241 473 D C -1.291 174.518 176.300 -0.818 0.000 1.138 473 D CA -1.462 52.127 54.000 -0.683 0.000 0.877 473 D CB 1.319 41.609 40.800 -0.850 0.000 1.187 473 D HN 0.142 nan 8.370 nan 0.000 0.451 474 P HA -0.113 nan 4.420 nan 0.000 0.234 474 P C 1.563 178.703 177.300 -0.267 0.000 1.167 474 P CA 0.123 63.048 63.100 -0.292 0.000 0.763 474 P CB 0.300 31.913 31.700 -0.146 0.000 0.835 475 L N 0.223 121.235 121.223 -0.352 0.000 2.046 475 L HA -0.062 4.284 4.340 0.010 0.000 0.208 475 L C 1.504 178.378 176.870 0.006 0.000 1.077 475 L CA 1.675 56.451 54.840 -0.106 0.000 0.747 475 L CB -1.359 40.701 42.059 0.001 0.000 0.896 475 L HN 0.089 nan 8.230 nan 0.000 0.432 476 W N -2.455 118.809 121.300 -0.059 0.000 2.862 476 W HA 0.698 5.364 4.660 0.010 0.000 0.426 476 W C 1.453 177.945 176.519 -0.044 0.000 0.950 476 W CA -0.139 57.162 57.345 -0.072 0.000 2.150 476 W CB -1.314 28.074 29.460 -0.121 0.000 1.161 476 W HN 0.043 nan 8.180 nan 0.000 0.696 477 A N 0.784 123.573 122.820 -0.052 0.000 1.902 477 A HA -0.254 4.073 4.320 0.010 0.000 0.217 477 A C 2.076 179.676 177.584 0.027 0.000 1.181 477 A CA 2.120 54.134 52.037 -0.038 0.000 0.623 477 A CB -0.546 18.412 19.000 -0.070 0.000 0.818 477 A HN 0.539 nan 8.150 nan 0.000 0.443 478 E N -0.743 119.476 120.200 0.033 0.000 2.047 478 E HA -0.139 4.217 4.350 0.010 0.000 0.191 478 E C 1.961 178.587 176.600 0.043 0.000 0.987 478 E CA 1.600 58.017 56.400 0.028 0.000 0.799 478 E CB -0.172 29.538 29.700 0.017 0.000 0.752 478 E HN 0.560 nan 8.360 nan 0.000 0.449 479 T N 0.979 115.575 114.554 0.069 0.000 2.778 479 T HA -0.247 4.109 4.350 0.010 0.000 0.269 479 T C 1.706 176.465 174.700 0.098 0.000 1.050 479 T CA 1.479 63.621 62.100 0.071 0.000 1.137 479 T CB -0.342 68.575 68.868 0.081 0.000 0.860 479 T HN 0.227 nan 8.240 nan 0.000 0.468 480 R N 1.126 121.700 120.500 0.123 0.000 2.132 480 R HA -0.263 4.084 4.340 0.010 0.000 0.233 480 R C 1.801 178.137 176.300 0.061 0.000 1.125 480 R CA 2.496 58.670 56.100 0.124 0.000 0.914 480 R CB -0.040 30.340 30.300 0.133 0.000 0.845 480 R HN 0.253 nan 8.270 nan 0.000 0.431 481 K N -3.150 117.269 120.400 0.031 0.000 9.481 481 K HA -0.291 4.035 4.320 0.010 0.000 0.437 481 K C 1.331 177.943 176.600 0.020 0.000 0.958 481 K CA 1.871 58.174 56.287 0.025 0.000 1.688 481 K CB -1.891 30.629 32.500 0.034 0.000 0.634 481 K HN 0.252 nan 8.250 nan 0.000 0.958 482 Q N 0.886 120.706 119.800 0.034 0.000 2.124 482 Q HA 0.157 4.503 4.340 0.010 0.000 0.202 482 Q C 1.808 177.840 176.000 0.054 0.000 0.977 482 Q CA 2.966 58.793 55.803 0.039 0.000 0.850 482 Q CB -0.420 28.343 28.738 0.042 0.000 0.901 482 Q HN 0.530 nan 8.270 nan 0.000 0.429 483 A N -0.050 122.806 122.820 0.061 0.000 1.969 483 A HA -0.177 4.149 4.320 0.010 0.000 0.218 483 A C 1.915 179.441 177.584 -0.097 0.000 1.169 483 A CA 1.521 53.527 52.037 -0.052 0.000 0.635 483 A CB -0.482 18.454 19.000 -0.106 0.000 0.810 483 A HN 0.539 nan 8.150 nan 0.000 0.445 484 E N -0.241 119.932 120.200 -0.045 0.000 2.047 484 E HA -0.053 4.303 4.350 0.010 0.000 0.191 484 E C 2.329 178.905 176.600 -0.040 0.000 0.987 484 E CA 1.014 57.388 56.400 -0.043 0.000 0.799 484 E CB -0.288 29.399 29.700 -0.021 0.000 0.752 484 E HN 0.594 nan 8.360 nan 0.000 0.449 485 A N 1.417 124.223 122.820 -0.023 0.000 1.908 485 A HA -0.229 4.098 4.320 0.010 0.000 0.218 485 A C 1.561 179.129 177.584 -0.027 0.000 1.181 485 A CA 1.897 53.923 52.037 -0.019 0.000 0.627 485 A CB -0.415 18.580 19.000 -0.008 0.000 0.818 485 A HN 0.118 nan 8.150 nan 0.000 0.445 486 D N -1.220 119.161 120.400 -0.032 0.000 2.347 486 D HA 0.260 4.906 4.640 0.010 0.000 0.215 486 D C 1.193 177.436 176.300 -0.094 0.000 0.976 486 D CA 1.432 55.404 54.000 -0.047 0.000 0.884 486 D CB -0.177 40.605 40.800 -0.030 0.000 0.915 486 D HN 0.741 nan 8.370 nan 0.000 0.526 487 E N -1.194 118.947 120.200 -0.100 0.000 2.868 487 E HA -0.192 4.164 4.350 0.010 0.000 0.278 487 E C 0.176 176.677 176.600 -0.165 0.000 1.009 487 E CA 0.745 57.082 56.400 -0.105 0.000 0.856 487 E CB -2.375 nan 29.700 nan 0.000 1.428 487 E HN 0.197 nan 8.360 nan 0.000 0.423 488 V N 0.671 120.422 119.914 -0.272 0.000 2.539 488 V HA 0.572 4.698 4.120 0.010 0.000 0.292 488 V C 0.270 176.196 176.094 -0.280 0.000 1.045 488 V CA -0.172 61.888 62.300 -0.401 0.000 0.945 488 V CB 1.917 33.182 31.823 -0.931 0.000 0.993 488 V HN 0.514 nan 8.190 nan 0.000 0.464 489 D N 3.305 123.578 120.400 -0.212 0.000 2.443 489 D HA 0.266 4.913 4.640 0.010 0.000 0.221 489 D C 0.998 177.220 176.300 -0.130 0.000 1.097 489 D CA -0.400 53.525 54.000 -0.125 0.000 0.865 489 D CB 1.180 41.942 40.800 -0.062 0.000 1.034 489 D HN 0.544 nan 8.370 nan 0.000 0.511 490 I N 0.020 120.521 120.570 -0.114 0.000 3.001 490 I HA -0.002 4.175 4.170 0.010 0.000 0.268 490 I C 0.552 176.640 176.117 -0.048 0.000 1.267 490 I CA 0.517 61.763 61.300 -0.091 0.000 1.472 490 I CB 0.209 38.172 38.000 -0.062 0.000 1.089 490 I HN -0.023 nan 8.210 nan 0.000 0.468 491 D N 1.830 122.223 120.400 -0.011 0.000 2.349 491 D HA 0.101 4.748 4.640 0.010 0.000 0.224 491 D C 0.422 176.742 176.300 0.034 0.000 1.029 491 D CA 0.618 54.631 54.000 0.022 0.000 0.879 491 D CB 0.264 41.087 40.800 0.039 0.000 0.906 491 D HN 0.660 nan 8.370 nan 0.000 0.528 492 E N -0.915 119.301 120.200 0.027 0.000 2.433 492 E HA 0.118 4.475 4.350 0.010 0.000 0.273 492 E C -0.526 176.141 176.600 0.111 0.000 0.950 492 E CA -1.008 55.442 56.400 0.084 0.000 0.796 492 E CB 1.727 31.475 29.700 0.080 0.000 1.330 492 E HN 0.016 nan 8.360 nan 0.000 0.455 493 W N 2.061 123.348 121.300 -0.021 0.000 2.409 493 W HA 0.008 4.674 4.660 0.011 0.000 0.338 493 W C -0.492 176.012 176.519 -0.025 0.000 1.273 493 W CA 1.459 58.794 57.345 -0.016 0.000 1.299 493 W CB 0.708 30.164 29.460 -0.007 0.000 1.192 493 W HN 0.350 nan 8.180 nan 0.000 0.565 494 T N 5.124 119.372 114.554 -0.509 0.000 2.956 494 T HA 0.247 4.603 4.350 0.010 0.000 0.312 494 T C -0.414 174.035 174.700 -0.418 0.000 1.151 494 T CA -0.482 61.428 62.100 -0.316 0.000 1.024 494 T CB 1.346 70.078 68.868 -0.226 0.000 1.140 494 T HN 0.512 nan 8.240 nan 0.000 0.473 495 E N 1.725 121.813 120.200 -0.186 0.000 2.812 495 E HA 0.392 4.749 4.350 0.010 0.000 0.211 495 E C 0.093 176.664 176.600 -0.048 0.000 0.986 495 E CA -0.483 55.851 56.400 -0.109 0.000 1.119 495 E CB 1.024 30.725 29.700 0.002 0.000 1.046 495 E HN 0.695 nan 8.360 nan 0.000 0.474 496 A N 1.123 123.916 122.820 -0.044 0.000 2.488 496 A HA 0.312 4.639 4.320 0.010 0.000 0.249 496 A C 0.111 177.720 177.584 0.042 0.000 1.083 496 A CA 0.049 52.084 52.037 -0.004 0.000 0.768 496 A CB 0.415 19.370 19.000 -0.076 0.000 1.017 496 A HN 0.091 nan 8.150 nan 0.000 0.496 497 V N 4.932 124.852 119.914 0.009 0.000 2.443 497 V HA 0.316 4.442 4.120 0.010 0.000 0.293 497 V C -0.487 175.603 176.094 -0.007 0.000 1.021 497 V CA -0.437 61.841 62.300 -0.035 0.000 0.848 497 V CB 1.390 33.187 31.823 -0.043 0.000 0.998 497 V HN 0.718 nan 8.190 nan 0.000 0.424 498 I N 5.487 126.050 120.570 -0.011 0.000 2.362 498 I HA 0.533 4.709 4.170 0.010 0.000 0.289 498 I C 0.040 176.137 176.117 -0.033 0.000 0.994 498 I CA -0.588 60.714 61.300 0.002 0.000 1.158 498 I CB 1.817 39.851 38.000 0.057 0.000 1.315 498 I HN 0.485 nan 8.210 nan 0.000 0.451 499 R N 4.014 124.500 120.500 -0.023 0.000 2.294 499 R HA 0.365 4.711 4.340 0.010 0.000 0.319 499 R C -0.712 175.571 176.300 -0.028 0.000 0.984 499 R CA -0.559 55.524 56.100 -0.029 0.000 0.861 499 R CB 1.506 31.796 30.300 -0.017 0.000 1.104 499 R HN 0.473 nan 8.270 nan 0.000 0.451 500 D N 1.921 122.299 120.400 -0.037 0.000 2.621 500 D HA 0.253 4.900 4.640 0.010 0.000 0.274 500 D C 0.816 177.095 176.300 -0.036 0.000 1.215 500 D CA 0.420 54.399 54.000 -0.035 0.000 0.810 500 D CB 0.335 41.111 40.800 -0.041 0.000 1.248 500 D HN 0.755 nan 8.370 nan 0.000 0.517 501 G N 3.214 111.997 108.800 -0.029 0.000 2.565 501 G HA2 -0.385 3.581 3.960 0.010 0.000 0.295 501 G HA3 -0.385 3.581 3.960 0.010 0.000 0.295 501 G C 0.750 175.632 174.900 -0.031 0.000 1.165 501 G CA 0.339 45.423 45.100 -0.027 0.000 0.977 501 G HN 0.515 nan 8.290 nan 0.000 0.546 502 N N 1.352 120.030 118.700 -0.036 0.000 2.268 502 N HA 0.270 5.016 4.740 0.010 0.000 0.204 502 N C 0.310 175.783 175.510 -0.062 0.000 1.124 502 N CA 0.178 53.204 53.050 -0.041 0.000 0.838 502 N CB 0.394 38.861 38.487 -0.033 0.000 0.994 502 N HN 0.418 nan 8.380 nan 0.000 0.489 503 K N 0.607 120.965 120.400 -0.070 0.000 2.123 503 K HA 0.602 4.928 4.320 0.010 0.000 0.248 503 K C -0.912 175.625 176.600 -0.105 0.000 0.969 503 K CA -0.716 55.511 56.287 -0.099 0.000 0.882 503 K CB 2.412 34.855 32.500 -0.096 0.000 1.080 503 K HN -0.250 nan 8.250 nan 0.000 0.441 504 V N 2.242 122.066 119.914 -0.150 0.000 2.610 504 V HA 0.316 4.442 4.120 0.010 0.000 0.298 504 V C -0.899 175.045 176.094 -0.249 0.000 1.067 504 V CA -0.892 61.311 62.300 -0.162 0.000 0.894 504 V CB 1.654 33.390 31.823 -0.146 0.000 1.015 504 V HN 0.680 nan 8.190 nan 0.000 0.432 505 R N 3.052 123.406 120.500 -0.244 0.000 2.295 505 R HA 0.717 5.064 4.340 0.010 0.000 0.324 505 R C -1.155 174.854 176.300 -0.483 0.000 0.968 505 R CA -0.572 55.293 56.100 -0.393 0.000 0.837 505 R CB 2.163 32.285 30.300 -0.298 0.000 1.133 505 R HN 0.500 nan 8.270 nan 0.000 0.450 506 V N 5.180 124.677 119.914 -0.695 0.000 2.334 506 V HA 0.275 4.401 4.120 0.010 0.000 0.281 506 V C -0.897 174.739 176.094 -0.764 0.000 1.016 506 V CA -0.747 61.129 62.300 -0.708 0.000 0.832 506 V CB 0.722 31.924 31.823 -1.035 0.000 0.999 506 V HN 0.608 nan 8.190 nan 0.000 0.439 507 Y N 5.164 125.227 120.300 -0.396 0.000 2.330 507 Y HA 0.712 5.268 4.550 0.011 0.000 0.336 507 Y C 0.389 176.059 175.900 -0.383 0.000 1.036 507 Y CA -0.476 57.407 58.100 -0.361 0.000 1.125 507 Y CB 1.604 39.900 38.460 -0.273 0.000 1.194 507 Y HN 0.457 nan 8.280 nan 0.000 0.469 508 M N 2.179 121.619 119.600 -0.266 0.000 2.572 508 M HA 0.490 4.976 4.480 0.010 0.000 0.299 508 M C -1.016 175.105 176.300 -0.300 0.000 1.205 508 M CA -0.723 54.398 55.300 -0.300 0.000 0.876 508 M CB 2.617 35.048 32.600 -0.281 0.000 1.728 508 M HN 0.488 nan 8.290 nan 0.000 0.458 509 T N 1.082 115.370 114.554 -0.442 0.000 2.855 509 T HA 0.547 4.903 4.350 0.010 0.000 0.281 509 T C -0.342 174.213 174.700 -0.242 0.000 1.007 509 T CA -0.810 61.064 62.100 -0.376 0.000 1.009 509 T CB 1.343 69.910 68.868 -0.501 0.000 0.983 509 T HN 0.694 nan 8.240 nan 0.000 0.455 510 S N 1.393 117.019 115.700 -0.123 0.000 2.456 510 S HA 0.706 5.182 4.470 0.010 0.000 0.316 510 S C -0.653 173.867 174.600 -0.132 0.000 1.089 510 S CA -0.761 57.319 58.200 -0.201 0.000 1.101 510 S CB 0.970 63.989 63.200 -0.301 0.000 0.995 510 S HN 0.462 nan 8.310 nan 0.000 0.468 511 V N 2.671 122.530 119.914 -0.091 0.000 2.488 511 V HA 0.638 4.765 4.120 0.010 0.000 0.293 511 V C 0.518 176.596 176.094 -0.028 0.000 1.027 511 V CA -0.860 61.470 62.300 0.049 0.000 0.862 511 V CB 1.205 33.143 31.823 0.192 0.000 1.008 511 V HN 1.228 nan 8.190 nan 0.000 0.428 512 A N 7.580 130.466 122.820 0.109 0.000 2.598 512 A HA 0.260 4.587 4.320 0.010 0.000 0.239 512 A C -1.152 176.356 177.584 -0.126 0.000 1.032 512 A CA 0.134 52.237 52.037 0.109 0.000 0.760 512 A CB -0.035 19.170 19.000 0.341 0.000 0.946 512 A HN 0.718 nan 8.150 nan 0.000 0.512 513 P HA 0.191 nan 4.420 nan 0.000 0.259 513 P C -0.452 176.699 177.300 -0.247 0.000 1.530 513 P CA 0.073 62.980 63.100 -0.321 0.000 1.022 513 P CB 0.422 31.804 31.700 -0.529 0.000 1.514 514 S N -0.340 115.227 115.700 -0.222 0.000 2.542 514 S HA 0.561 5.037 4.470 0.010 0.000 0.293 514 S C -0.343 174.115 174.600 -0.237 0.000 1.089 514 S CA -0.399 57.706 58.200 -0.157 0.000 0.961 514 S CB 0.924 64.141 63.200 0.029 0.000 1.062 514 S HN -0.080 nan 8.310 nan 0.000 0.483 515 F N 1.527 121.518 119.950 0.067 0.000 2.406 515 F HA 0.191 4.724 4.527 0.010 0.000 0.327 515 F C 2.087 177.926 175.800 0.065 0.000 1.153 515 F CA -0.257 57.775 58.000 0.053 0.000 1.218 515 F CB 0.718 39.839 39.000 0.202 0.000 1.215 515 F HN 0.715 nan 8.300 nan 0.000 0.570 516 S N -0.598 115.137 115.700 0.058 0.000 2.461 516 S HA -0.017 4.460 4.470 0.010 0.000 0.228 516 S C 0.326 174.994 174.600 0.112 0.000 1.005 516 S CA 0.269 58.402 58.200 -0.113 0.000 0.942 516 S CB -0.308 62.270 63.200 -1.036 0.000 0.776 516 S HN 0.650 nan 8.310 nan 0.000 0.514 517 Q N 1.715 121.613 119.800 0.162 0.000 2.347 517 Q HA 0.315 4.661 4.340 0.010 0.000 0.262 517 Q C -2.014 174.200 176.000 0.356 0.000 0.980 517 Q CA -2.301 53.637 55.803 0.225 0.000 0.867 517 Q CB 1.839 30.672 28.738 0.158 0.000 1.242 517 Q HN 0.212 nan 8.270 nan 0.000 0.453 518 P HA -0.123 nan 4.420 nan 0.000 0.221 518 P C 0.137 177.527 177.300 0.150 0.000 1.150 518 P CA 0.955 64.185 63.100 0.216 0.000 0.800 518 P CB 0.515 32.314 31.700 0.165 0.000 0.787 519 S N -1.155 114.676 115.700 0.219 0.000 2.643 519 S HA 0.701 5.177 4.470 0.010 0.000 0.270 519 S C -1.164 173.627 174.600 0.318 0.000 1.166 519 S CA -0.870 57.408 58.200 0.130 0.000 0.815 519 S CB 1.318 64.500 63.200 -0.030 0.000 1.139 519 S HN 0.133 nan 8.310 nan 0.000 0.472 520 F N -1.831 118.170 119.950 0.085 0.000 2.713 520 F HA 0.828 5.361 4.527 0.010 0.000 0.311 520 F C -1.217 174.668 175.800 0.142 0.000 1.141 520 F CA -0.778 57.281 58.000 0.099 0.000 0.939 520 F CB 1.260 40.269 39.000 0.015 0.000 1.325 520 F HN 0.599 nan 8.300 nan 0.000 0.453 521 T N 2.372 117.104 114.554 0.296 0.000 2.829 521 T HA 0.706 5.063 4.350 0.010 0.000 0.280 521 T C -0.556 174.278 174.700 0.223 0.000 0.999 521 T CA -0.417 61.814 62.100 0.218 0.000 0.983 521 T CB 1.618 70.605 68.868 0.198 0.000 0.968 521 T HN 1.061 nan 8.240 nan 0.000 0.446 522 V N 0.244 120.249 119.914 0.151 0.000 3.156 522 V HA 0.768 4.895 4.120 0.010 0.000 0.311 522 V C -1.210 174.932 176.094 0.080 0.000 1.208 522 V CA -1.222 61.149 62.300 0.117 0.000 1.063 522 V CB 2.006 33.895 31.823 0.110 0.000 1.098 522 V HN 0.550 nan 8.190 nan 0.000 0.452 523 K N 1.243 121.674 120.400 0.051 0.000 2.138 523 K HA 0.378 4.704 4.320 0.010 0.000 0.263 523 K C -0.182 176.444 176.600 0.043 0.000 0.965 523 K CA -0.375 55.937 56.287 0.043 0.000 0.868 523 K CB 1.871 34.385 32.500 0.024 0.000 1.083 523 K HN 1.005 nan 8.250 nan 0.000 0.443 524 E N 0.492 120.726 120.200 0.057 0.000 2.608 524 E HA -0.117 4.239 4.350 0.010 0.000 0.259 524 E C 0.597 177.217 176.600 0.033 0.000 0.951 524 E CA 1.307 57.742 56.400 0.059 0.000 0.945 524 E CB 0.047 29.784 29.700 0.062 0.000 0.916 524 E HN 0.803 nan 8.360 nan 0.000 0.477 525 G N 4.033 112.851 108.800 0.029 0.000 2.225 525 G HA2 -0.243 3.723 3.960 0.010 0.000 0.254 525 G HA3 -0.243 3.723 3.960 0.010 0.000 0.254 525 G C -0.113 174.776 174.900 -0.018 0.000 0.988 525 G CA 0.182 45.286 45.100 0.008 0.000 0.625 525 G HN 0.673 nan 8.290 nan 0.000 0.527 526 D N 1.060 121.443 120.400 -0.028 0.000 2.443 526 D HA 0.327 4.973 4.640 0.010 0.000 0.239 526 D C 0.652 176.879 176.300 -0.122 0.000 1.136 526 D CA 0.190 54.150 54.000 -0.066 0.000 0.879 526 D CB 0.760 41.521 40.800 -0.064 0.000 1.195 526 D HN 0.480 nan 8.370 nan 0.000 0.443 527 E N 2.037 122.155 120.200 -0.137 0.000 1.941 527 E HA 0.189 4.546 4.350 0.010 0.000 0.275 527 E C -0.967 175.460 176.600 -0.289 0.000 1.113 527 E CA -0.549 55.735 56.400 -0.193 0.000 0.878 527 E CB 0.367 29.986 29.700 -0.135 0.000 1.070 527 E HN 0.087 nan 8.360 nan 0.000 0.399 528 V N 4.428 124.046 119.914 -0.494 0.000 2.461 528 V HA 0.179 4.305 4.120 0.010 0.000 0.275 528 V C 0.315 176.035 176.094 -0.624 0.000 1.047 528 V CA -0.356 61.575 62.300 -0.615 0.000 0.955 528 V CB 1.423 32.726 31.823 -0.866 0.000 0.988 528 V HN 0.607 nan 8.190 nan 0.000 0.471 529 T N 4.652 118.939 114.554 -0.446 0.000 2.779 529 T HA 0.503 4.859 4.350 0.010 0.000 0.280 529 T C -0.288 174.129 174.700 -0.471 0.000 0.987 529 T CA -0.357 61.518 62.100 -0.376 0.000 0.966 529 T CB 1.523 70.198 68.868 -0.322 0.000 0.933 529 T HN 0.356 nan 8.240 nan 0.000 0.442 530 V N 5.078 124.737 119.914 -0.426 0.000 2.370 530 V HA 0.438 4.564 4.120 0.010 0.000 0.279 530 V C -0.356 175.355 176.094 -0.638 0.000 1.029 530 V CA -0.771 61.139 62.300 -0.650 0.000 0.870 530 V CB 0.867 32.185 31.823 -0.840 0.000 0.984 530 V HN 0.731 nan 8.190 nan 0.000 0.451 531 I N 5.932 126.083 120.570 -0.698 0.000 2.339 531 I HA 0.476 4.653 4.170 0.010 0.000 0.290 531 I C -0.194 175.640 176.117 -0.472 0.000 0.994 531 I CA -0.188 60.787 61.300 -0.542 0.000 1.191 531 I CB 1.726 39.410 38.000 -0.527 0.000 1.343 531 I HN 0.268 nan 8.210 nan 0.000 0.458 532 V N 4.910 124.577 119.914 -0.411 0.000 2.487 532 V HA 0.565 4.692 4.120 0.010 0.000 0.298 532 V C -0.116 175.807 176.094 -0.285 0.000 1.028 532 V CA -0.486 61.619 62.300 -0.325 0.000 0.860 532 V CB 1.951 33.605 31.823 -0.281 0.000 0.991 532 V HN 0.737 nan 8.190 nan 0.000 0.427 533 T N 3.595 118.004 114.554 -0.242 0.000 2.792 533 T HA 0.323 4.679 4.350 0.010 0.000 0.280 533 T C -0.237 174.364 174.700 -0.164 0.000 0.990 533 T CA -0.455 61.487 62.100 -0.263 0.000 0.960 533 T CB 1.078 69.805 68.868 -0.236 0.000 0.939 533 T HN 0.602 nan 8.240 nan 0.000 0.439 534 N N 3.437 122.047 118.700 -0.149 0.000 2.437 534 N HA 0.225 4.971 4.740 0.010 0.000 0.243 534 N C 0.052 175.566 175.510 0.007 0.000 1.041 534 N CA -0.583 52.453 53.050 -0.023 0.000 0.940 534 N CB 0.235 38.739 38.487 0.029 0.000 1.133 534 N HN 0.559 nan 8.380 nan 0.000 0.506 535 L N 1.467 122.720 121.223 0.049 0.000 2.791 535 L HA 0.302 4.648 4.340 0.010 0.000 0.239 535 L C -0.000 176.934 176.870 0.107 0.000 1.203 535 L CA -0.345 54.541 54.840 0.078 0.000 1.002 535 L CB -0.092 42.024 42.059 0.096 0.000 1.295 535 L HN 0.303 nan 8.230 nan 0.000 0.504 536 D N 1.090 121.567 120.400 0.128 0.000 2.424 536 D HA -0.030 4.616 4.640 0.010 0.000 0.244 536 D C 0.779 177.137 176.300 0.097 0.000 1.134 536 D CA 0.434 54.510 54.000 0.126 0.000 0.881 536 D CB 1.861 42.756 40.800 0.160 0.000 1.191 536 D HN 0.108 nan 8.370 nan 0.000 0.445 537 E N 1.187 121.437 120.200 0.084 0.000 2.481 537 E HA 0.145 4.502 4.350 0.010 0.000 0.198 537 E C 0.124 176.760 176.600 0.060 0.000 1.027 537 E CA -0.170 56.273 56.400 0.073 0.000 0.900 537 E CB 0.263 30.002 29.700 0.064 0.000 0.993 537 E HN 0.433 nan 8.360 nan 0.000 0.482 538 I N 1.699 122.304 120.570 0.058 0.000 2.496 538 I HA 0.023 4.199 4.170 0.010 0.000 0.285 538 I C 0.268 176.405 176.117 0.033 0.000 1.080 538 I CA -0.521 60.805 61.300 0.044 0.000 1.404 538 I CB 0.633 38.661 38.000 0.047 0.000 1.403 538 I HN 0.009 nan 8.210 nan 0.000 0.539 539 D N 5.965 126.379 120.400 0.025 0.000 2.472 539 D HA -0.082 4.564 4.640 0.010 0.000 0.248 539 D C 0.573 176.881 176.300 0.014 0.000 1.174 539 D CA 1.007 55.017 54.000 0.016 0.000 0.883 539 D CB 0.382 41.187 40.800 0.008 0.000 1.149 539 D HN 0.605 nan 8.370 nan 0.000 0.488 540 D N 2.057 122.464 120.400 0.010 0.000 2.954 540 D HA -0.200 4.447 4.640 0.010 0.000 0.200 540 D C -0.298 176.002 176.300 -0.000 0.000 1.022 540 D CA 0.190 54.198 54.000 0.013 0.000 1.003 540 D CB -1.129 39.684 40.800 0.022 0.000 1.073 540 D HN 0.337 nan 8.370 nan 0.000 0.438 541 L N 2.162 123.373 121.223 -0.021 0.000 2.536 541 L HA 0.377 4.724 4.340 0.010 0.000 0.242 541 L C -0.024 176.729 176.870 -0.195 0.000 1.280 541 L CA 0.272 55.065 54.840 -0.078 0.000 1.221 541 L CB -0.241 41.799 42.059 -0.032 0.000 1.449 541 L HN -0.056 nan 8.230 nan 0.000 0.405 542 T N 2.234 116.658 114.554 -0.217 0.000 2.904 542 T HA 0.413 4.769 4.350 0.010 0.000 0.290 542 T C -0.144 174.316 174.700 -0.401 0.000 1.018 542 T CA -0.224 61.662 62.100 -0.358 0.000 1.075 542 T CB 0.713 69.208 68.868 -0.622 0.000 0.986 542 T HN 0.355 nan 8.240 nan 0.000 0.523 543 H N -0.675 118.335 119.070 -0.101 0.000 2.864 543 H HA 0.695 5.257 4.556 0.010 0.000 0.354 543 H C 0.274 175.682 175.328 0.133 0.000 1.208 543 H CA -0.748 55.365 56.048 0.109 0.000 1.191 543 H CB 1.919 31.722 29.762 0.069 0.000 1.889 543 H HN 0.820 nan 8.280 nan 0.000 0.574 544 G N -0.269 108.848 108.800 0.530 0.000 2.730 544 G HA2 0.481 4.447 3.960 0.010 0.000 0.289 544 G HA3 0.481 4.447 3.960 0.010 0.000 0.289 544 G C -1.997 173.197 174.900 0.491 0.000 1.341 544 G CA -0.588 44.807 45.100 0.493 0.000 0.932 544 G HN 0.375 nan 8.290 nan 0.000 0.481 545 F N 0.867 120.927 119.950 0.185 0.000 2.536 545 F HA 0.665 5.199 4.527 0.011 0.000 0.322 545 F C -0.550 175.204 175.800 -0.077 0.000 1.144 545 F CA -0.448 57.589 58.000 0.062 0.000 0.924 545 F CB 2.334 41.291 39.000 -0.072 0.000 1.181 545 F HN 0.404 nan 8.300 nan 0.000 0.438 546 T N 7.297 121.427 114.554 -0.706 0.000 2.841 546 T HA 0.374 4.731 4.350 0.010 0.000 0.285 546 T C -0.856 173.385 174.700 -0.764 0.000 0.991 546 T CA -0.436 61.262 62.100 -0.670 0.000 0.966 546 T CB 1.329 69.660 68.868 -0.896 0.000 0.962 546 T HN 0.615 nan 8.240 nan 0.000 0.438 547 M N 3.623 122.933 119.600 -0.483 0.000 2.061 547 M HA 0.544 5.031 4.480 0.010 0.000 0.346 547 M C 0.492 176.740 176.300 -0.086 0.000 1.112 547 M CA -0.595 54.508 55.300 -0.328 0.000 1.021 547 M CB 0.217 32.559 32.600 -0.429 0.000 1.530 547 M HN 0.660 nan 8.290 nan 0.000 0.437 548 G N 3.911 112.773 108.800 0.104 0.000 2.313 548 G HA2 0.194 4.160 3.960 0.010 0.000 0.250 548 G HA3 0.194 4.160 3.960 0.010 0.000 0.250 548 G C 0.386 175.431 174.900 0.241 0.000 1.281 548 G CA -0.202 45.034 45.100 0.227 0.000 0.917 548 G HN 0.976 nan 8.290 nan 0.000 0.501 549 N N 0.232 119.008 118.700 0.127 0.000 2.936 549 N HA -0.174 4.572 4.740 0.010 0.000 0.236 549 N C 0.747 176.133 175.510 -0.207 0.000 0.930 549 N CA 1.721 54.777 53.050 0.010 0.000 0.966 549 N CB -1.176 37.357 38.487 0.077 0.000 1.090 549 N HN 0.791 nan 8.380 nan 0.000 0.592 550 H N -0.896 118.065 119.070 -0.181 0.000 2.652 550 H HA 0.453 5.015 4.556 0.011 0.000 0.274 550 H C 1.368 176.560 175.328 -0.227 0.000 1.021 550 H CA 0.759 56.651 56.048 -0.259 0.000 1.187 550 H CB 0.388 29.861 29.762 -0.482 0.000 1.505 550 H HN 0.325 nan 8.280 nan 0.000 0.530 551 G N 0.944 109.696 108.800 -0.080 0.000 2.298 551 G HA2 -0.204 3.762 3.960 0.010 0.000 0.287 551 G HA3 -0.204 3.762 3.960 0.010 0.000 0.287 551 G C -0.599 174.256 174.900 -0.074 0.000 1.075 551 G CA 0.448 45.513 45.100 -0.059 0.000 0.960 551 G HN 0.263 nan 8.290 nan 0.000 0.502 552 V N -0.557 119.290 119.914 -0.113 0.000 2.668 552 V HA 0.898 5.024 4.120 0.010 0.000 0.304 552 V C 0.082 176.132 176.094 -0.074 0.000 1.071 552 V CA -0.088 62.141 62.300 -0.117 0.000 0.894 552 V CB 1.816 33.454 31.823 -0.309 0.000 1.008 552 V HN 1.879 nan 8.190 nan 0.000 0.425 553 A N 6.561 129.385 122.820 0.007 0.000 2.530 553 A HA 0.910 5.237 4.320 0.010 0.000 0.297 553 A C -0.991 176.672 177.584 0.132 0.000 1.059 553 A CA -0.524 51.540 52.037 0.045 0.000 0.782 553 A CB 1.809 20.813 19.000 0.008 0.000 1.301 553 A HN 1.168 nan 8.150 nan 0.000 0.394 554 M N 0.759 120.473 119.600 0.189 0.000 2.593 554 M HA 0.733 5.219 4.480 0.010 0.000 0.290 554 M C -0.481 175.961 176.300 0.238 0.000 1.244 554 M CA -0.548 54.868 55.300 0.193 0.000 0.857 554 M CB 1.872 34.538 32.600 0.110 0.000 1.738 554 M HN 0.699 nan 8.290 nan 0.000 0.461 555 E N 1.263 121.556 120.200 0.155 0.000 2.331 555 E HA 0.473 4.830 4.350 0.010 0.000 0.272 555 E C -1.515 174.995 176.600 -0.150 0.000 1.036 555 E CA -0.631 55.692 56.400 -0.127 0.000 0.864 555 E CB 1.324 30.875 29.700 -0.249 0.000 1.035 555 E HN 0.635 nan 8.360 nan 0.000 0.408 556 V N 4.488 124.271 119.914 -0.218 0.000 2.380 556 V HA 0.326 4.452 4.120 0.010 0.000 0.268 556 V C 0.602 176.572 176.094 -0.207 0.000 1.008 556 V CA -0.624 61.560 62.300 -0.193 0.000 0.823 556 V CB 0.921 32.695 31.823 -0.082 0.000 1.053 556 V HN 0.788 nan 8.190 nan 0.000 0.446 557 G N 4.519 113.197 108.800 -0.203 0.000 2.636 557 G HA2 0.417 4.383 3.960 0.010 0.000 0.246 557 G HA3 0.417 4.383 3.960 0.010 0.000 0.246 557 G C -2.565 172.353 174.900 0.031 0.000 1.216 557 G CA -1.100 43.977 45.100 -0.039 0.000 0.854 557 G HN 0.474 nan 8.290 nan 0.000 0.572 558 P HA 0.072 nan 4.420 nan 0.000 0.263 558 P C -0.079 177.346 177.300 0.209 0.000 1.195 558 P CA 0.290 63.466 63.100 0.126 0.000 0.762 558 P CB 0.925 32.690 31.700 0.108 0.000 0.799 559 Q N -1.519 118.343 119.800 0.105 0.000 2.374 559 Q HA -0.249 4.097 4.340 0.010 0.000 0.218 559 Q C 0.185 176.165 176.000 -0.033 0.000 0.691 559 Q CA 1.242 57.110 55.803 0.108 0.000 1.340 559 Q CB -1.961 26.915 28.738 0.230 0.000 1.498 559 Q HN 0.698 nan 8.270 nan 0.000 0.739 560 Q N 0.333 119.940 119.800 -0.323 0.000 2.299 560 Q HA 0.382 4.729 4.340 0.010 0.000 0.246 560 Q C -0.715 174.623 176.000 -1.104 0.000 0.935 560 Q CA 0.257 55.439 55.803 -1.036 0.000 0.887 560 Q CB 0.950 29.059 28.738 -1.050 0.000 1.223 560 Q HN 0.058 nan 8.270 nan 0.000 0.439 561 T N 2.468 115.868 114.554 -1.924 0.000 2.792 561 T HA 0.494 4.850 4.350 0.010 0.000 0.280 561 T C -1.215 172.927 174.700 -0.931 0.000 0.990 561 T CA -0.518 60.808 62.100 -1.289 0.000 0.960 561 T CB 1.394 69.461 68.868 -1.335 0.000 0.939 561 T HN 0.509 nan 8.240 nan 0.000 0.439 562 S N 1.920 117.308 115.700 -0.520 0.000 2.536 562 S HA 0.812 5.288 4.470 0.010 0.000 0.287 562 S C -0.579 173.866 174.600 -0.259 0.000 1.101 562 S CA -0.960 57.054 58.200 -0.310 0.000 0.950 562 S CB 1.807 64.863 63.200 -0.240 0.000 1.056 562 S HN 0.840 nan 8.310 nan 0.000 0.481 563 S N 0.537 116.125 115.700 -0.186 0.000 2.599 563 S HA 0.905 5.382 4.470 0.010 0.000 0.287 563 S C -1.118 173.400 174.600 -0.137 0.000 1.105 563 S CA -0.856 57.221 58.200 -0.205 0.000 0.899 563 S CB 1.784 64.862 63.200 -0.202 0.000 1.100 563 S HN 0.811 nan 8.310 nan 0.000 0.482 564 V N 0.955 120.787 119.914 -0.138 0.000 3.048 564 V HA 0.750 4.876 4.120 0.010 0.000 0.303 564 V C -1.399 174.703 176.094 0.013 0.000 1.214 564 V CA -0.134 62.144 62.300 -0.038 0.000 0.984 564 V CB 2.335 34.169 31.823 0.018 0.000 1.054 564 V HN 1.207 nan 8.190 nan 0.000 0.430 565 T N 6.515 121.105 114.554 0.060 0.000 2.863 565 T HA 0.879 5.235 4.350 0.010 0.000 0.285 565 T C -1.012 173.812 174.700 0.206 0.000 1.009 565 T CA -0.227 61.891 62.100 0.030 0.000 0.989 565 T CB 1.286 70.113 68.868 -0.069 0.000 1.004 565 T HN 0.938 nan 8.240 nan 0.000 0.455 566 F N -0.723 119.198 119.950 -0.048 0.000 2.693 566 F HA 0.753 5.286 4.527 0.011 0.000 0.309 566 F C -1.609 174.190 175.800 -0.002 0.000 1.129 566 F CA -1.505 56.488 58.000 -0.011 0.000 0.948 566 F CB 0.705 39.721 39.000 0.027 0.000 1.315 566 F HN 0.282 nan 8.300 nan 0.000 0.447 567 V N 2.259 122.236 119.914 0.106 0.000 2.465 567 V HA 0.660 4.787 4.120 0.010 0.000 0.279 567 V C 0.298 176.511 176.094 0.199 0.000 1.045 567 V CA -0.386 61.929 62.300 0.027 0.000 0.938 567 V CB 1.151 32.995 31.823 0.035 0.000 0.986 567 V HN 1.043 nan 8.190 nan 0.000 0.467 568 A N 4.067 126.956 122.820 0.114 0.000 2.506 568 A HA 0.652 4.978 4.320 0.010 0.000 0.320 568 A C 1.134 178.801 177.584 0.138 0.000 1.424 568 A CA 0.245 52.430 52.037 0.246 0.000 1.044 568 A CB 0.477 19.569 19.000 0.154 0.000 1.140 568 A HN 1.168 nan 8.150 nan 0.000 0.538 569 A N 2.917 125.800 122.820 0.104 0.000 2.081 569 A HA 0.133 4.459 4.320 0.010 0.000 0.214 569 A C 0.766 178.383 177.584 0.055 0.000 1.158 569 A CA 0.451 52.517 52.037 0.049 0.000 0.724 569 A CB 0.034 19.043 19.000 0.015 0.000 0.826 569 A HN 0.664 nan 8.150 nan 0.000 0.463 570 N N 0.598 119.341 118.700 0.072 0.000 2.354 570 N HA 0.393 5.139 4.740 0.010 0.000 0.287 570 N C -3.233 172.421 175.510 0.240 0.000 1.016 570 N CA -1.370 51.755 53.050 0.124 0.000 0.871 570 N CB 1.607 40.166 38.487 0.119 0.000 1.299 570 N HN -0.047 nan 8.380 nan 0.000 0.482 571 P HA 0.285 nan 4.420 nan 0.000 0.269 571 P C 0.244 177.696 177.300 0.254 0.000 1.209 571 P CA 0.234 63.458 63.100 0.206 0.000 0.776 571 P CB 0.657 32.426 31.700 0.115 0.000 0.876 572 G N -0.099 108.828 108.800 0.211 0.000 2.369 572 G HA2 0.183 4.149 3.960 0.010 0.000 0.293 572 G HA3 0.183 4.149 3.960 0.010 0.000 0.293 572 G C -1.738 173.077 174.900 -0.142 0.000 1.301 572 G CA -0.568 44.509 45.100 -0.038 0.000 0.913 572 G HN 0.538 nan 8.290 nan 0.000 0.540 573 V N 0.189 119.880 119.914 -0.372 0.000 2.481 573 V HA 0.850 4.976 4.120 0.010 0.000 0.286 573 V C -0.972 174.639 176.094 -0.804 0.000 1.042 573 V CA -0.506 61.549 62.300 -0.408 0.000 0.928 573 V CB 0.845 32.513 31.823 -0.259 0.000 0.986 573 V HN 0.739 nan 8.190 nan 0.000 0.462 574 Y N 3.553 123.687 120.300 -0.277 0.000 2.553 574 Y HA 0.544 5.100 4.550 0.010 0.000 0.347 574 Y C -0.863 174.847 175.900 -0.316 0.000 1.019 574 Y CA -0.753 57.266 58.100 -0.135 0.000 1.032 574 Y CB 1.662 40.140 38.460 0.029 0.000 1.284 574 Y HN 0.627 nan 8.280 nan 0.000 0.466 575 W N 2.588 123.898 121.300 0.016 0.000 2.520 575 W HA 0.528 5.194 4.660 0.010 0.000 0.323 575 W C -0.974 175.517 176.519 -0.047 0.000 1.062 575 W CA -0.828 56.439 57.345 -0.130 0.000 1.215 575 W CB 0.926 30.304 29.460 -0.136 0.000 1.340 575 W HN 0.404 nan 8.180 nan 0.000 0.516 576 Y N 1.837 122.193 120.300 0.094 0.000 2.419 576 Y HA 0.783 5.339 4.550 0.010 0.000 0.328 576 Y C -0.581 175.336 175.900 0.029 0.000 1.162 576 Y CA -2.169 55.804 58.100 -0.212 0.000 1.174 576 Y CB 0.705 38.758 38.460 -0.678 0.000 1.228 576 Y HN 0.506 nan 8.280 nan 0.000 0.473 577 Y N -0.243 120.016 120.300 -0.070 0.000 2.656 577 Y HA 0.541 5.097 4.550 0.010 0.000 0.334 577 Y C -1.374 174.686 175.900 0.267 0.000 1.179 577 Y CA -2.321 55.870 58.100 0.152 0.000 1.050 577 Y CB 0.507 38.967 38.460 0.000 0.000 1.308 577 Y HN 1.057 nan 8.280 nan 0.000 0.456 578 C N 4.073 123.650 119.300 0.461 0.000 2.499 578 C HA 0.272 4.738 4.460 0.010 0.000 0.386 578 C C 1.092 176.341 174.990 0.432 0.000 1.293 578 C CA 0.209 59.472 59.018 0.408 0.000 1.884 578 C CB 0.111 28.024 27.740 0.288 0.000 2.509 578 C HN 0.969 nan 8.230 nan 0.000 0.566 579 Q N 4.649 124.673 119.800 0.373 0.000 2.282 579 Q HA 0.089 4.435 4.340 0.010 0.000 0.206 579 Q C -0.076 176.096 176.000 0.287 0.000 0.878 579 Q CA 0.159 56.175 55.803 0.354 0.000 0.944 579 Q CB 0.204 29.012 28.738 0.117 0.000 1.100 579 Q HN 0.880 nan 8.270 nan 0.000 0.509 580 W N 1.208 122.670 121.300 0.270 0.000 2.278 580 W HA 0.345 5.012 4.660 0.012 0.000 0.317 580 W C -0.970 175.533 176.519 -0.027 0.000 1.030 580 W CA -1.393 56.025 57.345 0.122 0.000 1.334 580 W CB 0.651 30.170 29.460 0.098 0.000 1.215 580 W HN -0.020 nan 8.180 nan 0.000 0.405 581 F N 4.634 124.416 119.950 -0.280 0.000 2.571 581 F HA -0.057 4.476 4.527 0.010 0.000 0.384 581 F C 1.311 177.028 175.800 -0.139 0.000 1.058 581 F CA 0.771 58.398 58.000 -0.621 0.000 1.200 581 F CB 0.565 39.278 39.000 -0.478 0.000 1.077 581 F HN 0.389 nan 8.300 nan 0.000 0.558 582 C N 3.763 123.106 119.300 0.072 0.000 3.931 582 C HA 0.426 4.893 4.460 0.010 0.000 0.378 582 C C -0.174 174.974 174.990 0.264 0.000 1.554 582 C CA -0.246 58.866 59.018 0.157 0.000 1.926 582 C CB -0.795 27.003 27.740 0.098 0.000 2.837 582 C HN 0.818 nan 8.230 nan 0.000 0.701 583 H N -0.994 118.170 119.070 0.156 0.000 3.043 583 H HA 0.401 4.963 4.556 0.010 0.000 0.317 583 H C 0.636 176.073 175.328 0.182 0.000 1.321 583 H CA 0.479 56.617 56.048 0.150 0.000 1.243 583 H CB 1.734 31.565 29.762 0.115 0.000 1.924 583 H HN 0.022 nan 8.280 nan 0.000 0.527 584 A N 3.074 125.922 122.820 0.047 0.000 1.978 584 A HA -0.079 4.247 4.320 0.010 0.000 0.220 584 A C 1.714 179.451 177.584 0.255 0.000 1.170 584 A CA 1.290 53.437 52.037 0.184 0.000 0.636 584 A CB -0.367 18.663 19.000 0.050 0.000 0.810 584 A HN 0.458 nan 8.150 nan 0.000 0.448 585 L N -0.466 121.021 121.223 0.440 0.000 2.779 585 L HA 0.084 4.430 4.340 0.010 0.000 0.239 585 L C 1.629 178.529 176.870 0.050 0.000 1.245 585 L CA 0.087 55.046 54.840 0.198 0.000 1.064 585 L CB -0.495 41.646 42.059 0.135 0.000 1.350 585 L HN 0.636 nan 8.230 nan 0.000 0.455 586 H N 0.287 119.275 119.070 -0.136 0.000 2.389 586 H HA -0.161 4.401 4.556 0.010 0.000 0.299 586 H C 2.123 177.299 175.328 -0.253 0.000 1.081 586 H CA 1.688 57.533 56.048 -0.337 0.000 1.345 586 H CB 0.337 29.501 29.762 -0.997 0.000 1.393 586 H HN 0.173 nan 8.280 nan 0.000 0.520 587 M N 0.306 119.692 119.600 -0.358 0.000 2.279 587 M HA -0.064 4.422 4.480 0.010 0.000 0.264 587 M C 1.326 177.456 176.300 -0.283 0.000 1.062 587 M CA 1.218 56.311 55.300 -0.347 0.000 1.099 587 M CB -0.577 31.922 32.600 -0.167 0.000 1.394 587 M HN 0.354 nan 8.290 nan 0.000 0.426 588 E N -0.096 119.990 120.200 -0.191 0.000 2.489 588 E HA 0.088 4.445 4.350 0.010 0.000 0.193 588 E C 0.772 177.314 176.600 -0.098 0.000 1.057 588 E CA 0.004 56.325 56.400 -0.132 0.000 0.866 588 E CB -0.231 29.425 29.700 -0.073 0.000 0.916 588 E HN 0.360 nan 8.360 nan 0.000 0.500 589 M N 2.566 122.081 119.600 -0.143 0.000 3.442 589 M HA 0.096 4.582 4.480 0.010 0.000 0.232 589 M C -0.607 175.755 176.300 0.104 0.000 1.508 589 M CA 0.173 55.409 55.300 -0.107 0.000 1.647 589 M CB -0.505 31.965 32.600 -0.217 0.000 1.126 589 M HN -0.100 nan 8.290 nan 0.000 0.557 590 R N 1.143 121.758 120.500 0.193 0.000 2.692 590 R HA 0.910 5.257 4.340 0.010 0.000 0.269 590 R C -1.135 175.290 176.300 0.209 0.000 1.030 590 R CA -1.136 55.129 56.100 0.275 0.000 0.882 590 R CB 1.057 31.423 30.300 0.111 0.000 1.250 590 R HN 0.368 nan 8.270 nan 0.000 0.465 591 G N 0.742 109.377 108.800 -0.275 0.000 2.788 591 G HA2 0.579 4.545 3.960 0.010 0.000 0.293 591 G HA3 0.579 4.545 3.960 0.010 0.000 0.293 591 G C -1.490 172.625 174.900 -1.309 0.000 1.392 591 G CA -1.217 43.497 45.100 -0.642 0.000 0.810 591 G HN 0.412 nan 8.290 nan 0.000 0.508 592 R N -0.083 119.712 120.500 -1.176 0.000 2.445 592 R HA 0.487 4.834 4.340 0.010 0.000 0.308 592 R C -0.347 175.403 176.300 -0.917 0.000 0.961 592 R CA -0.664 54.648 56.100 -1.313 0.000 0.862 592 R CB 2.301 31.596 30.300 -1.674 0.000 1.144 592 R HN 0.542 nan 8.270 nan 0.000 0.447 593 M N 4.023 123.172 119.600 -0.752 0.000 2.157 593 M HA 0.368 4.855 4.480 0.010 0.000 0.354 593 M C -1.464 174.427 176.300 -0.682 0.000 1.170 593 M CA -0.305 54.440 55.300 -0.925 0.000 1.060 593 M CB 0.639 32.785 32.600 -0.757 0.000 1.615 593 M HN 0.487 nan 8.290 nan 0.000 0.460 594 F N 4.725 124.477 119.950 -0.330 0.000 2.405 594 F HA 0.430 4.963 4.527 0.011 0.000 0.355 594 F C -0.272 175.489 175.800 -0.065 0.000 1.121 594 F CA -0.845 57.058 58.000 -0.162 0.000 1.112 594 F CB 1.174 40.089 39.000 -0.142 0.000 1.126 594 F HN 0.220 nan 8.300 nan 0.000 0.481 595 V N 3.940 123.979 119.914 0.207 0.000 2.328 595 V HA 0.209 4.335 4.120 0.010 0.000 0.278 595 V C -0.117 176.064 176.094 0.144 0.000 1.021 595 V CA -0.908 61.500 62.300 0.180 0.000 0.838 595 V CB 0.941 32.917 31.823 0.254 0.000 0.999 595 V HN 0.698 nan 8.190 nan 0.000 0.447 596 E N 6.424 126.683 120.200 0.100 0.000 2.301 596 E HA 0.318 4.674 4.350 0.010 0.000 0.275 596 E C -2.295 174.340 176.600 0.058 0.000 1.030 596 E CA -1.668 54.770 56.400 0.063 0.000 0.852 596 E CB 0.925 30.648 29.700 0.037 0.000 1.060 596 E HN 0.437 nan 8.360 nan 0.000 0.401 597 P HA 0.000 nan 4.420 nan 0.000 0.216 597 P CA 0.000 63.123 63.100 0.038 0.000 0.800 597 P CB 0.000 31.716 31.700 0.026 0.000 0.726