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 2aez_1_A DATA FIRST_RESID 3 DATA SEQUENCE IEQPYRTGYH FQPPSNWMND PNGPMLYQGV YHFFYQYNPY AATFGDVIIW DATA SEQUENCE GHAVSYDLVN WIHLDPAIYP TQEADSKSCW SGSATILPGN IPAMLYTGSD DATA SEQUENCE SKSRQVQDLA WPKNLSDPFL REWVKHPKNP LITPPEGVKD DCFRDPSTAW DATA SEQUENCE LGPDGVWRIV VGGDRDNNGM AFLYQSTDFV NWKRYDQPLS SADATGTWQC DATA SEQUENCE PDFYPVPLNS TNGLDTSVYG GSVRHVMKAG FEGHDWYTIG TYSPDRENFL DATA SEQUENCE PQNGLSLTGS TLDLRYDYGQ FYASKSFFDD AKNRRVLWAW VPETDSQADD DATA SEQUENCE IEKGWAGLQS FPRALWIDRN GKQLIQWPVE EIEELRQNQV NLQNKNLKPG DATA SEQUENCE SVLEIHGIAA SQADVTISFK LEGLKEAEVL DTTLVDPQAL cNERGASSRG DATA SEQUENCE ALGPFGLLAM ASKDLKEQSA IFFRVFQNQL GRYSVLMcSD LSRSTVRSNI DATA SEQUENCE DTTSYGAFVD IDPRSEEISL RNLIDHSIIE SFGAGGKTCI TSRIYPKFVN DATA SEQUENCE NEEAHLFVFN NGTQNVKISE MSAWSMKNAK FVVDQS 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.111 176.117 -0.009 0.000 1.063 3 I CA 0.000 61.301 61.300 0.002 0.000 1.566 3 I CB 0.000 37.997 38.000 -0.005 0.000 1.214 4 E N 5.580 125.781 120.200 0.001 0.000 2.373 4 E HA 0.124 4.474 4.350 -0.000 0.000 0.267 4 E C -0.127 176.474 176.600 0.002 0.000 1.032 4 E CA 0.068 56.473 56.400 0.009 0.000 0.889 4 E CB 0.639 30.348 29.700 0.016 0.000 0.984 4 E HN 0.370 nan 8.360 nan 0.000 0.425 5 Q N 2.091 121.914 119.800 0.038 0.000 2.447 5 Q HA -0.147 4.193 4.340 -0.000 0.000 0.348 5 Q C -1.898 174.100 176.000 -0.004 0.000 1.421 5 Q CA 0.754 56.607 55.803 0.082 0.000 0.978 5 Q CB -0.873 27.901 28.738 0.059 0.000 1.191 5 Q HN 0.624 nan 8.270 nan 0.000 0.371 6 P HA -0.089 nan 4.420 nan 0.000 0.242 6 P C 0.356 177.429 177.300 -0.379 0.000 1.197 6 P CA 1.046 63.974 63.100 -0.288 0.000 0.765 6 P CB 0.056 31.485 31.700 -0.452 0.000 0.936 7 Y N -0.908 119.503 120.300 0.186 0.000 2.445 7 Y HA 0.244 4.794 4.550 -0.000 0.000 0.247 7 Y C 1.412 177.487 175.900 0.291 0.000 1.129 7 Y CA -0.600 57.652 58.100 0.253 0.000 1.251 7 Y CB 0.051 38.711 38.460 0.332 0.000 1.176 7 Y HN -0.242 nan 8.280 nan 0.000 0.522 8 R N 1.523 122.136 120.500 0.189 0.000 2.590 8 R HA 0.124 4.464 4.340 -0.000 0.000 0.274 8 R C 0.636 176.730 176.300 -0.343 0.000 1.061 8 R CA 0.255 56.202 56.100 -0.255 0.000 1.081 8 R CB 0.270 30.320 30.300 -0.416 0.000 0.984 8 R HN 0.221 nan 8.270 nan 0.000 0.448 9 T N -1.686 112.661 114.554 -0.345 0.000 2.882 9 T HA 0.263 4.613 4.350 -0.000 0.000 0.287 9 T C 1.315 175.866 174.700 -0.247 0.000 1.014 9 T CA -0.297 61.650 62.100 -0.256 0.000 1.049 9 T CB 1.596 70.341 68.868 -0.205 0.000 1.001 9 T HN 0.592 nan 8.240 nan 0.000 0.525 10 G N -0.110 108.614 108.800 -0.127 0.000 2.719 10 G HA2 0.146 4.106 3.960 -0.000 0.000 0.211 10 G HA3 0.146 4.106 3.960 -0.000 0.000 0.211 10 G C 0.534 175.597 174.900 0.272 0.000 1.140 10 G CA 0.051 45.181 45.100 0.051 0.000 0.790 10 G HN 0.975 nan 8.290 nan 0.000 0.529 11 Y N -1.551 118.918 120.300 0.281 0.000 2.809 11 Y HA 0.577 5.127 4.550 -0.000 0.000 0.251 11 Y C -0.181 175.942 175.900 0.371 0.000 1.136 11 Y CA -1.598 56.682 58.100 0.301 0.000 1.185 11 Y CB -0.681 37.847 38.460 0.113 0.000 1.260 11 Y HN 0.018 nan 8.280 nan 0.000 0.576 12 H N 0.744 119.925 119.070 0.185 0.000 2.533 12 H HA 0.400 4.956 4.556 -0.000 0.000 0.343 12 H C -1.170 174.277 175.328 0.198 0.000 1.160 12 H CA -1.180 55.013 56.048 0.242 0.000 1.218 12 H CB 1.273 31.052 29.762 0.027 0.000 1.566 12 H HN 0.235 nan 8.280 nan 0.000 0.522 13 F N 2.894 122.935 119.950 0.152 0.000 2.484 13 F HA 0.233 4.760 4.527 -0.000 0.000 0.360 13 F C -0.225 175.392 175.800 -0.304 0.000 1.101 13 F CA 0.123 58.035 58.000 -0.147 0.000 1.251 13 F CB 0.252 38.944 39.000 -0.512 0.000 1.132 13 F HN 0.582 nan 8.300 nan 0.000 0.570 14 Q N 6.513 125.438 119.800 -1.457 0.000 2.574 14 Q HA 0.397 4.737 4.340 -0.000 0.000 0.265 14 Q C -3.233 172.053 176.000 -1.189 0.000 0.975 14 Q CA -2.020 53.158 55.803 -1.041 0.000 0.923 14 Q CB 1.831 30.170 28.738 -0.666 0.000 1.518 14 Q HN 0.312 nan 8.270 nan 0.000 0.401 15 P HA 0.133 nan 4.420 nan 0.000 0.272 15 P C -2.028 174.913 177.300 -0.597 0.000 1.230 15 P CA -0.987 61.693 63.100 -0.701 0.000 0.788 15 P CB 0.337 31.846 31.700 -0.318 0.000 0.949 16 P HA -0.140 nan 4.420 nan 0.000 0.218 16 P C 0.404 177.564 177.300 -0.232 0.000 1.146 16 P CA 1.733 64.602 63.100 -0.385 0.000 0.820 16 P CB 0.007 31.528 31.700 -0.299 0.000 0.778 17 S N -5.206 110.432 115.700 -0.104 0.000 2.656 17 S HA 0.429 4.899 4.470 -0.000 0.000 0.265 17 S C -0.929 173.815 174.600 0.240 0.000 1.132 17 S CA -0.961 57.287 58.200 0.080 0.000 0.819 17 S CB 0.803 64.063 63.200 0.099 0.000 1.119 17 S HN 0.010 nan 8.310 nan 0.000 0.476 18 N N -0.627 118.247 118.700 0.290 0.000 6.182 18 N HA -0.161 4.579 4.740 -0.000 0.000 0.378 18 N C -1.134 174.587 175.510 0.352 0.000 0.927 18 N CA 0.769 53.983 53.050 0.273 0.000 1.120 18 N CB -1.058 37.517 38.487 0.146 0.000 0.872 18 N HN 0.915 nan 8.380 nan 0.000 0.371 19 W N 2.766 124.105 121.300 0.065 0.000 2.365 19 W HA 0.641 5.301 4.660 -0.000 0.000 0.316 19 W C -0.531 176.094 176.519 0.176 0.000 1.164 19 W CA -0.366 57.041 57.345 0.103 0.000 1.204 19 W CB 0.505 29.978 29.460 0.023 0.000 1.213 19 W HN 0.559 nan 8.180 nan 0.000 0.539 20 M N 8.206 127.530 119.600 -0.460 0.000 2.378 20 M HA 0.236 4.716 4.480 -0.000 0.000 0.289 20 M C -0.946 174.772 176.300 -0.971 0.000 1.136 20 M CA -0.374 54.726 55.300 -0.334 0.000 0.917 20 M CB 1.713 34.275 32.600 -0.063 0.000 1.669 20 M HN 0.664 nan 8.290 nan 0.000 0.461 21 N N 1.612 119.764 118.700 -0.913 0.000 3.132 21 N HA 0.267 5.006 4.740 -0.000 0.000 0.246 21 N C -1.288 173.645 175.510 -0.960 0.000 1.568 21 N CA -0.440 51.514 53.050 -1.827 0.000 0.957 21 N CB -0.294 37.030 38.487 -1.937 0.000 2.748 21 N HN 0.582 nan 8.380 nan 0.000 0.377 22 D N 3.500 123.509 120.400 -0.651 0.000 2.923 22 D HA 0.035 4.674 4.640 -0.000 0.000 0.220 22 D C -2.064 174.078 176.300 -0.262 0.000 1.099 22 D CA 0.250 54.099 54.000 -0.251 0.000 0.807 22 D CB -0.083 40.620 40.800 -0.162 0.000 1.155 22 D HN 0.253 nan 8.370 nan 0.000 0.524 23 P HA 0.057 nan 4.420 nan 0.000 0.275 23 P C -0.763 176.239 177.300 -0.497 0.000 1.227 23 P CA -0.200 62.716 63.100 -0.307 0.000 0.781 23 P CB 0.894 32.608 31.700 0.023 0.000 0.906 24 N N 0.272 118.456 118.700 -0.861 0.000 2.272 24 N HA 0.394 5.133 4.740 -0.000 0.000 0.305 24 N C 0.175 175.314 175.510 -0.618 0.000 1.103 24 N CA -0.843 51.655 53.050 -0.921 0.000 0.791 24 N CB 1.200 38.553 38.487 -1.891 0.000 1.356 24 N HN 0.535 nan 8.380 nan 0.000 0.486 25 G N 1.771 110.378 108.800 -0.321 0.000 2.359 25 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.278 25 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.278 25 G C -2.550 172.422 174.900 0.121 0.000 0.872 25 G CA -0.447 44.658 45.100 0.008 0.000 1.185 25 G HN 0.330 nan 8.290 nan 0.000 0.474 26 P HA 0.484 nan 4.420 nan 0.000 0.271 26 P C 0.358 177.533 177.300 -0.208 0.000 1.216 26 P CA 0.015 63.057 63.100 -0.097 0.000 0.776 26 P CB 0.965 32.707 31.700 0.070 0.000 0.881 27 M N 1.309 120.692 119.600 -0.361 0.000 2.694 27 M HA 0.510 4.990 4.480 -0.000 0.000 0.276 27 M C -2.216 174.124 176.300 0.067 0.000 1.167 27 M CA -1.172 54.070 55.300 -0.096 0.000 0.849 27 M CB 1.551 34.288 32.600 0.229 0.000 1.705 27 M HN 0.035 nan 8.290 nan 0.000 0.504 28 L N 2.821 124.209 121.223 0.275 0.000 2.294 28 L HA 0.657 4.997 4.340 -0.000 0.000 0.283 28 L C -2.158 174.869 176.870 0.261 0.000 1.015 28 L CA -0.088 54.865 54.840 0.188 0.000 0.831 28 L CB 1.258 43.398 42.059 0.135 0.000 1.217 28 L HN 0.708 nan 8.230 nan 0.000 0.420 29 Y N 4.321 124.720 120.300 0.166 0.000 2.373 29 Y HA 0.419 4.969 4.550 -0.000 0.000 0.336 29 Y C 0.326 176.312 175.900 0.144 0.000 0.979 29 Y CA -0.576 57.634 58.100 0.183 0.000 1.080 29 Y CB 1.418 40.027 38.460 0.247 0.000 1.190 29 Y HN 0.763 nan 8.280 nan 0.000 0.446 30 Q N 4.342 123.789 119.800 -0.588 0.000 2.453 30 Q HA -0.196 4.144 4.340 -0.000 0.000 0.294 30 Q C 0.932 176.857 176.000 -0.124 0.000 1.295 30 Q CA 1.850 57.397 55.803 -0.427 0.000 0.853 30 Q CB -1.419 27.020 28.738 -0.499 0.000 1.193 30 Q HN 1.564 nan 8.270 nan 0.000 0.461 31 G N -3.121 105.610 108.800 -0.116 0.000 2.205 31 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.261 31 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.261 31 G C 0.044 174.904 174.900 -0.066 0.000 0.980 31 G CA 0.017 45.073 45.100 -0.074 0.000 0.632 31 G HN 0.711 nan 8.290 nan 0.000 0.533 32 V N 1.035 120.905 119.914 -0.074 0.000 2.435 32 V HA 0.567 4.687 4.120 -0.000 0.000 0.290 32 V C -0.098 175.810 176.094 -0.310 0.000 1.030 32 V CA -1.083 61.081 62.300 -0.226 0.000 0.881 32 V CB 1.334 33.063 31.823 -0.156 0.000 0.983 32 V HN 0.211 nan 8.190 nan 0.000 0.445 33 Y N 4.137 124.283 120.300 -0.258 0.000 2.436 33 Y HA 0.340 4.889 4.550 -0.001 0.000 0.343 33 Y C 0.828 176.620 175.900 -0.179 0.000 1.008 33 Y CA -0.096 57.927 58.100 -0.128 0.000 1.241 33 Y CB 0.150 38.530 38.460 -0.133 0.000 1.153 33 Y HN 0.552 nan 8.280 nan 0.000 0.521 34 H N 4.448 123.632 119.070 0.189 0.000 2.488 34 H HA 0.226 4.781 4.556 -0.000 0.000 0.322 34 H C -1.129 174.182 175.328 -0.028 0.000 1.078 34 H CA -0.480 55.615 56.048 0.078 0.000 1.260 34 H CB 1.378 31.221 29.762 0.135 0.000 1.425 34 H HN 0.546 nan 8.280 nan 0.000 0.471 35 F N 3.677 123.440 119.950 -0.311 0.000 2.532 35 F HA 0.463 4.990 4.527 -0.000 0.000 0.321 35 F C -1.717 173.621 175.800 -0.770 0.000 1.089 35 F CA -1.001 56.606 58.000 -0.654 0.000 0.926 35 F CB 0.999 39.288 39.000 -1.186 0.000 1.168 35 F HN 0.299 nan 8.300 nan 0.000 0.459 36 F N 3.885 123.006 119.950 -1.381 0.000 2.620 36 F HA 0.659 5.186 4.527 -0.000 0.000 0.320 36 F C -1.224 173.720 175.800 -1.426 0.000 1.069 36 F CA -0.979 56.383 58.000 -1.064 0.000 0.953 36 F CB 2.020 40.506 39.000 -0.857 0.000 1.322 36 F HN 0.432 nan 8.300 nan 0.000 0.479 37 Y N -1.401 118.377 120.300 -0.870 0.000 2.565 37 Y HA 0.429 4.979 4.550 -0.000 0.000 0.330 37 Y C -1.290 174.327 175.900 -0.471 0.000 1.150 37 Y CA -1.706 55.948 58.100 -0.743 0.000 1.055 37 Y CB 0.511 38.689 38.460 -0.469 0.000 1.337 37 Y HN 0.419 nan 8.280 nan 0.000 0.457 38 Q N 2.808 122.422 119.800 -0.310 0.000 2.247 38 Q HA 0.080 4.419 4.340 -0.000 0.000 0.288 38 Q C -1.456 174.627 176.000 0.138 0.000 1.079 38 Q CA 0.765 56.504 55.803 -0.106 0.000 0.932 38 Q CB 0.636 29.360 28.738 -0.023 0.000 1.133 38 Q HN 0.905 nan 8.270 nan 0.000 0.377 39 Y N 2.441 122.730 120.300 -0.017 0.000 2.492 39 Y HA 0.321 4.870 4.550 -0.000 0.000 0.346 39 Y C -0.983 174.941 175.900 0.040 0.000 0.997 39 Y CA -1.123 57.019 58.100 0.070 0.000 1.025 39 Y CB 1.740 40.150 38.460 -0.083 0.000 1.263 39 Y HN 0.574 nan 8.280 nan 0.000 0.454 40 N N 7.120 125.503 118.700 -0.528 0.000 2.564 40 N HA 0.375 5.115 4.740 -0.000 0.000 0.248 40 N C -2.303 172.574 175.510 -1.055 0.000 0.986 40 N CA -2.517 50.166 53.050 -0.612 0.000 0.921 40 N CB 1.672 39.945 38.487 -0.357 0.000 1.136 40 N HN 0.367 nan 8.380 nan 0.000 0.509 41 P HA -0.096 nan 4.420 nan 0.000 0.236 41 P C -0.182 176.761 177.300 -0.594 0.000 1.172 41 P CA 1.119 63.677 63.100 -0.903 0.000 0.759 41 P CB -0.082 31.159 31.700 -0.765 0.000 0.843 42 Y N -1.227 118.953 120.300 -0.200 0.000 2.453 42 Y HA 0.588 5.138 4.550 -0.000 0.000 0.247 42 Y C 1.328 177.180 175.900 -0.080 0.000 1.124 42 Y CA -0.595 57.439 58.100 -0.110 0.000 1.243 42 Y CB 0.742 39.139 38.460 -0.105 0.000 1.213 42 Y HN -0.036 nan 8.280 nan 0.000 0.523 43 A N 0.192 123.027 122.820 0.025 0.000 2.515 43 A HA 0.790 5.110 4.320 -0.000 0.000 0.299 43 A C -0.994 176.647 177.584 0.095 0.000 1.179 43 A CA -0.274 51.791 52.037 0.046 0.000 0.656 43 A CB 0.091 19.101 19.000 0.017 0.000 1.306 43 A HN 0.049 nan 8.150 nan 0.000 0.459 44 A N 0.305 123.203 122.820 0.129 0.000 2.842 44 A HA 0.621 4.940 4.320 -0.000 0.000 0.298 44 A C 0.049 177.800 177.584 0.277 0.000 1.293 44 A CA 0.514 52.693 52.037 0.237 0.000 0.959 44 A CB -0.679 18.407 19.000 0.143 0.000 1.119 44 A HN 0.996 nan 8.150 nan 0.000 0.564 45 T N -0.957 113.671 114.554 0.124 0.000 2.932 45 T HA 0.401 4.751 4.350 -0.000 0.000 0.318 45 T C -0.621 173.681 174.700 -0.663 0.000 1.265 45 T CA -0.572 61.422 62.100 -0.176 0.000 1.036 45 T CB 0.959 69.756 68.868 -0.119 0.000 1.209 45 T HN 0.232 nan 8.240 nan 0.000 0.484 46 F N 1.806 120.865 119.950 -1.486 0.000 2.626 46 F HA 0.457 4.984 4.527 -0.000 0.000 0.354 46 F C 0.987 176.452 175.800 -0.558 0.000 1.168 46 F CA 1.071 58.273 58.000 -1.331 0.000 1.368 46 F CB 0.208 38.615 39.000 -0.988 0.000 1.092 46 F HN 0.712 nan 8.300 nan 0.000 0.612 47 G N 2.804 111.101 108.800 -0.838 0.000 3.015 47 G HA2 0.246 4.206 3.960 -0.000 0.000 0.281 47 G HA3 0.246 4.206 3.960 -0.000 0.000 0.281 47 G C -0.526 174.183 174.900 -0.319 0.000 1.386 47 G CA -0.530 44.331 45.100 -0.397 0.000 0.959 47 G HN 0.466 nan 8.290 nan 0.000 0.522 48 D N -1.080 119.259 120.400 -0.101 0.000 2.289 48 D HA 0.048 4.688 4.640 -0.000 0.000 0.207 48 D C 0.904 177.203 176.300 -0.000 0.000 0.966 48 D CA 0.787 54.789 54.000 0.005 0.000 0.868 48 D CB 0.547 41.362 40.800 0.026 0.000 0.943 48 D HN 0.051 nan 8.370 nan 0.000 0.514 49 V N 2.753 122.640 119.914 -0.045 0.000 2.284 49 V HA 0.230 4.350 4.120 -0.000 0.000 0.274 49 V C -0.268 175.750 176.094 -0.128 0.000 1.023 49 V CA -0.600 61.679 62.300 -0.034 0.000 0.808 49 V CB 1.668 33.541 31.823 0.084 0.000 1.035 49 V HN -0.074 nan 8.190 nan 0.000 0.445 50 I N 6.558 127.071 120.570 -0.095 0.000 2.378 50 I HA 0.546 4.716 4.170 -0.000 0.000 0.291 50 I C 0.117 176.245 176.117 0.018 0.000 0.992 50 I CA -0.236 61.025 61.300 -0.065 0.000 1.154 50 I CB 1.690 39.739 38.000 0.082 0.000 1.315 50 I HN 0.582 nan 8.210 nan 0.000 0.448 51 I N 0.930 121.524 120.570 0.040 0.000 3.133 51 I HA 0.574 4.744 4.170 -0.000 0.000 0.311 51 I C -1.237 174.988 176.117 0.180 0.000 1.072 51 I CA -0.909 60.456 61.300 0.107 0.000 1.015 51 I CB 1.985 40.044 38.000 0.097 0.000 1.233 51 I HN 0.268 nan 8.210 nan 0.000 0.473 52 W N 2.261 123.419 121.300 -0.237 0.000 2.342 52 W HA 0.623 5.283 4.660 -0.000 0.000 0.310 52 W C 0.661 176.931 176.519 -0.415 0.000 1.128 52 W CA -0.400 56.722 57.345 -0.372 0.000 1.322 52 W CB 0.990 30.122 29.460 -0.546 0.000 1.251 52 W HN 0.654 nan 8.180 nan 0.000 0.439 53 G N 2.279 110.665 108.800 -0.690 0.000 2.569 53 G HA2 0.292 4.252 3.960 -0.000 0.000 0.249 53 G HA3 0.292 4.252 3.960 -0.000 0.000 0.249 53 G C -1.328 173.224 174.900 -0.580 0.000 1.216 53 G CA -0.041 44.371 45.100 -1.146 0.000 0.845 53 G HN 0.477 nan 8.290 nan 0.000 0.568 54 H N -0.689 118.206 119.070 -0.291 0.000 2.851 54 H HA 0.739 5.295 4.556 -0.000 0.000 0.372 54 H C -0.598 174.755 175.328 0.042 0.000 1.158 54 H CA -0.118 55.843 56.048 -0.145 0.000 1.159 54 H CB 1.844 31.613 29.762 0.011 0.000 1.757 54 H HN 0.825 nan 8.280 nan 0.000 0.546 55 A N 2.924 125.697 122.820 -0.078 0.000 2.604 55 A HA 0.628 4.947 4.320 -0.000 0.000 0.295 55 A C -1.405 176.097 177.584 -0.137 0.000 1.067 55 A CA -0.050 51.967 52.037 -0.034 0.000 0.683 55 A CB 0.848 20.009 19.000 0.269 0.000 1.281 55 A HN 0.832 nan 8.150 nan 0.000 0.407 56 V N -1.365 118.439 119.914 -0.184 0.000 3.001 56 V HA 1.007 5.127 4.120 -0.000 0.000 0.314 56 V C -0.182 175.651 176.094 -0.436 0.000 1.099 56 V CA -0.300 61.759 62.300 -0.402 0.000 0.989 56 V CB 1.440 32.692 31.823 -0.953 0.000 1.040 56 V HN 1.797 nan 8.190 nan 0.000 0.434 57 S N 0.677 115.960 115.700 -0.695 0.000 2.565 57 S HA 0.694 5.163 4.470 -0.000 0.000 0.269 57 S C -1.062 173.161 174.600 -0.628 0.000 1.153 57 S CA -0.379 57.271 58.200 -0.917 0.000 0.835 57 S CB 1.776 63.856 63.200 -1.867 0.000 1.122 57 S HN 0.718 nan 8.310 nan 0.000 0.462 58 Y N 1.282 121.426 120.300 -0.260 0.000 2.467 58 Y HA 0.261 4.811 4.550 -0.000 0.000 0.250 58 Y C 0.909 176.817 175.900 0.012 0.000 1.155 58 Y CA 0.104 58.164 58.100 -0.066 0.000 1.249 58 Y CB 0.557 38.967 38.460 -0.083 0.000 1.146 58 Y HN 0.777 nan 8.280 nan 0.000 0.524 59 D N -2.865 117.487 120.400 -0.080 0.000 2.523 59 D HA 0.113 4.753 4.640 -0.000 0.000 0.269 59 D C 0.633 176.671 176.300 -0.437 0.000 1.374 59 D CA -0.049 53.847 54.000 -0.172 0.000 0.820 59 D CB -0.549 40.169 40.800 -0.136 0.000 1.211 59 D HN 0.106 nan 8.370 nan 0.000 0.502 60 L N -0.418 120.365 121.223 -0.734 0.000 4.625 60 L HA -0.281 4.059 4.340 -0.000 0.000 0.428 60 L C 0.509 177.164 176.870 -0.359 0.000 1.129 60 L CA 0.647 55.094 54.840 -0.654 0.000 0.978 60 L CB -1.429 40.255 42.059 -0.624 0.000 2.043 60 L HN 0.228 nan 8.230 nan 0.000 0.847 61 V N -2.664 117.000 119.914 -0.418 0.000 3.137 61 V HA 0.208 4.327 4.120 -0.000 0.000 0.236 61 V C 0.847 176.804 176.094 -0.227 0.000 1.260 61 V CA 0.696 62.952 62.300 -0.073 0.000 1.244 61 V CB 0.455 32.281 31.823 0.005 0.000 1.016 61 V HN 0.325 nan 8.190 nan 0.000 0.477 62 N N 0.313 118.705 118.700 -0.514 0.000 2.424 62 N HA 0.342 5.082 4.740 -0.000 0.000 0.271 62 N C -1.643 173.441 175.510 -0.710 0.000 0.985 62 N CA -0.158 52.573 53.050 -0.532 0.000 0.921 62 N CB 1.571 39.856 38.487 -0.336 0.000 1.149 62 N HN 0.275 nan 8.380 nan 0.000 0.492 63 W N 1.604 122.611 121.300 -0.488 0.000 2.706 63 W HA 0.593 5.253 4.660 -0.000 0.000 0.346 63 W C 0.139 176.486 176.519 -0.288 0.000 1.071 63 W CA -0.617 56.558 57.345 -0.283 0.000 1.206 63 W CB 1.131 30.586 29.460 -0.007 0.000 1.413 63 W HN 0.174 nan 8.180 nan 0.000 0.542 64 I N 3.290 123.823 120.570 -0.062 0.000 2.355 64 I HA 0.163 4.333 4.170 -0.000 0.000 0.288 64 I C -0.159 175.902 176.117 -0.094 0.000 0.999 64 I CA -1.116 60.108 61.300 -0.127 0.000 1.163 64 I CB 0.734 38.581 38.000 -0.256 0.000 1.316 64 I HN 0.262 nan 8.210 nan 0.000 0.454 65 H N 6.928 126.062 119.070 0.106 0.000 2.722 65 H HA 0.463 5.019 4.556 -0.000 0.000 0.328 65 H C -0.205 175.132 175.328 0.015 0.000 1.067 65 H CA 0.168 56.268 56.048 0.088 0.000 1.447 65 H CB 1.235 31.043 29.762 0.077 0.000 1.469 65 H HN 0.408 nan 8.280 nan 0.000 0.544 66 L N 1.788 123.082 121.223 0.118 0.000 2.260 66 L HA 0.307 4.647 4.340 -0.000 0.000 0.265 66 L C 0.516 177.454 176.870 0.115 0.000 1.015 66 L CA -1.131 53.752 54.840 0.070 0.000 0.826 66 L CB 1.214 43.236 42.059 -0.062 0.000 1.373 66 L HN 0.473 nan 8.230 nan 0.000 0.450 67 D N 0.109 120.594 120.400 0.142 0.000 2.358 67 D HA 0.240 4.880 4.640 -0.000 0.000 0.244 67 D C -2.263 174.148 176.300 0.184 0.000 1.163 67 D CA -0.930 53.150 54.000 0.132 0.000 0.945 67 D CB 0.544 41.426 40.800 0.137 0.000 1.152 67 D HN 0.164 nan 8.370 nan 0.000 0.451 68 P HA 0.010 nan 4.420 nan 0.000 0.269 68 P C -0.385 177.063 177.300 0.248 0.000 1.211 68 P CA 0.191 63.398 63.100 0.177 0.000 0.781 68 P CB 0.660 32.483 31.700 0.206 0.000 0.877 69 A N 2.445 125.296 122.820 0.053 0.000 1.970 69 A HA 0.235 4.555 4.320 -0.000 0.000 0.204 69 A C 0.651 177.875 177.584 -0.601 0.000 1.325 69 A CA 0.709 52.622 52.037 -0.207 0.000 0.767 69 A CB -0.182 18.473 19.000 -0.575 0.000 0.949 69 A HN 0.471 nan 8.150 nan 0.000 0.481 70 I N 1.446 121.584 120.570 -0.720 0.000 2.389 70 I HA 0.491 4.660 4.170 -0.000 0.000 0.288 70 I C -1.326 174.395 176.117 -0.661 0.000 0.999 70 I CA -0.859 59.817 61.300 -1.040 0.000 1.129 70 I CB 1.446 38.404 38.000 -1.736 0.000 1.288 70 I HN 0.456 nan 8.210 nan 0.000 0.444 71 Y N 5.238 125.322 120.300 -0.361 0.000 2.571 71 Y HA 0.599 5.148 4.550 -0.000 0.000 0.341 71 Y C -2.966 172.815 175.900 -0.197 0.000 1.076 71 Y CA -3.760 54.202 58.100 -0.229 0.000 1.029 71 Y CB 0.315 38.694 38.460 -0.136 0.000 1.308 71 Y HN 0.288 nan 8.280 nan 0.000 0.461 72 P HA -0.023 nan 4.420 nan 0.000 0.258 72 P C 0.367 177.717 177.300 0.084 0.000 1.172 72 P CA 0.921 64.029 63.100 0.013 0.000 0.762 72 P CB 0.698 32.389 31.700 -0.015 0.000 0.764 73 T N -0.767 113.793 114.554 0.010 0.000 3.407 73 T HA 0.201 4.551 4.350 -0.000 0.000 0.308 73 T C 0.160 174.848 174.700 -0.019 0.000 0.919 73 T CA -0.245 61.868 62.100 0.020 0.000 0.960 73 T CB 0.026 68.897 68.868 0.004 0.000 1.193 73 T HN 0.396 nan 8.240 nan 0.000 0.568 74 Q N -0.143 119.639 119.800 -0.031 0.000 2.615 74 Q HA 0.428 4.768 4.340 -0.000 0.000 0.298 74 Q C 0.249 176.228 176.000 -0.035 0.000 1.023 74 Q CA -0.845 54.938 55.803 -0.034 0.000 0.768 74 Q CB 1.920 30.635 28.738 -0.039 0.000 1.500 74 Q HN 0.040 nan 8.270 nan 0.000 0.441 75 E N 0.574 120.755 120.200 -0.032 0.000 2.230 75 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 75 E C 1.136 177.708 176.600 -0.047 0.000 0.987 75 E CA 1.093 57.474 56.400 -0.033 0.000 0.841 75 E CB 0.182 29.869 29.700 -0.023 0.000 0.783 75 E HN 0.709 nan 8.360 nan 0.000 0.481 76 A N 1.610 124.399 122.820 -0.051 0.000 2.216 76 A HA -0.131 4.188 4.320 -0.000 0.000 0.214 76 A C 0.780 178.299 177.584 -0.108 0.000 1.160 76 A CA 1.624 53.616 52.037 -0.074 0.000 0.725 76 A CB -0.151 18.803 19.000 -0.076 0.000 0.784 76 A HN 0.380 nan 8.150 nan 0.000 0.472 77 D N -2.868 117.476 120.400 -0.094 0.000 2.704 77 D HA -0.027 4.613 4.640 -0.000 0.000 0.291 77 D C 0.957 177.187 176.300 -0.117 0.000 1.610 77 D CA 0.639 54.567 54.000 -0.120 0.000 0.807 77 D CB -1.137 39.637 40.800 -0.043 0.000 1.233 77 D HN 0.199 nan 8.370 nan 0.000 0.445 78 S N 0.852 116.500 115.700 -0.088 0.000 2.402 78 S HA -0.262 4.208 4.470 -0.000 0.000 0.233 78 S C 1.634 176.188 174.600 -0.077 0.000 1.030 78 S CA 0.972 59.133 58.200 -0.065 0.000 1.003 78 S CB -0.310 62.863 63.200 -0.045 0.000 0.813 78 S HN 0.287 nan 8.310 nan 0.000 0.477 79 K N 0.223 120.553 120.400 -0.118 0.000 2.323 79 K HA 0.349 4.669 4.320 -0.000 0.000 0.197 79 K C -0.043 176.442 176.600 -0.191 0.000 1.043 79 K CA 0.265 56.481 56.287 -0.118 0.000 0.997 79 K CB 0.338 32.785 32.500 -0.087 0.000 0.807 79 K HN 0.265 nan 8.250 nan 0.000 0.497 80 S N -1.222 114.273 115.700 -0.342 0.000 2.712 80 S HA 0.139 4.609 4.470 -0.000 0.000 0.279 80 S C -1.786 172.453 174.600 -0.602 0.000 1.025 80 S CA -0.961 56.957 58.200 -0.469 0.000 0.861 80 S CB 0.971 63.815 63.200 -0.593 0.000 1.091 80 S HN 0.146 nan 8.310 nan 0.000 0.457 81 C N 3.757 122.827 119.300 -0.384 0.000 2.291 81 C HA 0.616 5.075 4.460 -0.000 0.000 0.322 81 C C -0.069 174.999 174.990 0.130 0.000 1.205 81 C CA -0.813 58.099 59.018 -0.177 0.000 1.495 81 C CB -0.840 26.724 27.740 -0.292 0.000 2.127 81 C HN 0.697 nan 8.230 nan 0.000 0.452 82 W N 1.307 122.807 121.300 0.333 0.000 2.353 82 W HA 0.434 5.094 4.660 -0.000 0.000 0.377 82 W C 0.708 177.479 176.519 0.420 0.000 1.375 82 W CA -1.011 56.521 57.345 0.313 0.000 1.503 82 W CB -0.198 29.394 29.460 0.221 0.000 1.345 82 W HN 0.467 nan 8.180 nan 0.000 0.683 83 S N 0.235 116.206 115.700 0.451 0.000 2.542 83 S HA 0.375 4.845 4.470 -0.000 0.000 0.287 83 S C 0.370 175.186 174.600 0.360 0.000 1.315 83 S CA 0.771 59.099 58.200 0.214 0.000 1.037 83 S CB 0.198 63.438 63.200 0.067 0.000 0.822 83 S HN 0.678 nan 8.310 nan 0.000 0.513 84 G N 0.480 109.467 108.800 0.311 0.000 2.554 84 G HA2 0.603 4.563 3.960 -0.000 0.000 0.306 84 G HA3 0.603 4.563 3.960 -0.000 0.000 0.306 84 G C -1.687 173.358 174.900 0.242 0.000 1.320 84 G CA -0.667 44.650 45.100 0.362 0.000 0.800 84 G HN 0.704 nan 8.290 nan 0.000 0.481 85 S N -1.218 114.625 115.700 0.238 0.000 2.549 85 S HA 0.785 5.255 4.470 -0.000 0.000 0.280 85 S C -0.285 174.439 174.600 0.205 0.000 1.109 85 S CA -0.105 58.216 58.200 0.201 0.000 0.905 85 S CB 1.795 65.119 63.200 0.206 0.000 1.081 85 S HN 1.555 nan 8.310 nan 0.000 0.477 86 A N 1.830 124.770 122.820 0.201 0.000 2.274 86 A HA 0.726 5.045 4.320 -0.000 0.000 0.309 86 A C -0.212 177.508 177.584 0.227 0.000 1.226 86 A CA -0.441 51.712 52.037 0.195 0.000 0.853 86 A CB 0.190 19.308 19.000 0.195 0.000 1.146 86 A HN 0.616 nan 8.150 nan 0.000 0.518 87 T N 3.169 117.827 114.554 0.173 0.000 2.824 87 T HA 0.484 4.834 4.350 -0.000 0.000 0.282 87 T C -0.283 174.411 174.700 -0.009 0.000 0.993 87 T CA -0.077 62.096 62.100 0.122 0.000 0.967 87 T CB 0.839 69.740 68.868 0.054 0.000 0.960 87 T HN 0.459 nan 8.240 nan 0.000 0.441 88 I N 4.522 125.151 120.570 0.098 0.000 2.287 88 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 88 I C 0.202 176.367 176.117 0.079 0.000 1.069 88 I CA -0.616 60.739 61.300 0.093 0.000 1.237 88 I CB 0.451 38.598 38.000 0.244 0.000 1.418 88 I HN 0.378 nan 8.210 nan 0.000 0.481 89 L N 7.318 128.483 121.223 -0.097 0.000 2.472 89 L HA 0.334 4.674 4.340 -0.000 0.000 0.260 89 L C -2.142 174.814 176.870 0.144 0.000 1.209 89 L CA -1.837 53.001 54.840 -0.003 0.000 0.817 89 L CB -0.334 41.567 42.059 -0.263 0.000 1.106 89 L HN 0.249 nan 8.230 nan 0.000 0.479 90 P HA 0.086 nan 4.420 nan 0.000 0.265 90 P C 0.592 177.953 177.300 0.102 0.000 1.193 90 P CA 0.730 63.931 63.100 0.169 0.000 0.765 90 P CB 0.739 32.540 31.700 0.168 0.000 0.823 91 G N 2.954 111.807 108.800 0.089 0.000 2.184 91 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.206 91 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.206 91 G C 0.497 175.446 174.900 0.081 0.000 0.995 91 G CA 0.005 45.142 45.100 0.062 0.000 0.651 91 G HN 0.674 nan 8.290 nan 0.000 0.511 92 N N -1.369 117.403 118.700 0.119 0.000 2.727 92 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 92 N C -0.342 175.307 175.510 0.231 0.000 1.040 92 N CA 1.322 54.493 53.050 0.202 0.000 0.712 92 N CB -1.104 37.493 38.487 0.185 0.000 0.912 92 N HN 1.618 nan 8.380 nan 0.000 0.545 93 I N 0.384 120.998 120.570 0.074 0.000 2.411 93 I HA 0.555 4.725 4.170 -0.000 0.000 0.284 93 I C -2.482 173.550 176.117 -0.141 0.000 1.012 93 I CA -2.603 58.660 61.300 -0.061 0.000 1.119 93 I CB 1.519 39.445 38.000 -0.125 0.000 1.261 93 I HN -0.017 nan 8.210 nan 0.000 0.448 94 P HA 0.314 nan 4.420 nan 0.000 0.271 94 P C -1.228 176.056 177.300 -0.026 0.000 1.226 94 P CA -0.122 62.891 63.100 -0.145 0.000 0.765 94 P CB 0.690 32.235 31.700 -0.258 0.000 0.835 95 A N 4.212 127.020 122.820 -0.020 0.000 2.303 95 A HA 0.707 5.027 4.320 -0.000 0.000 0.320 95 A C -0.621 177.098 177.584 0.224 0.000 1.192 95 A CA -0.602 51.488 52.037 0.089 0.000 0.821 95 A CB 0.505 19.373 19.000 -0.220 0.000 1.188 95 A HN 0.461 nan 8.150 nan 0.000 0.492 96 M N 2.926 122.704 119.600 0.297 0.000 2.101 96 M HA 0.532 5.012 4.480 -0.000 0.000 0.340 96 M C -1.548 174.842 176.300 0.151 0.000 1.057 96 M CA -0.616 54.762 55.300 0.131 0.000 0.984 96 M CB 0.838 33.321 32.600 -0.196 0.000 1.560 96 M HN 0.527 nan 8.290 nan 0.000 0.435 97 L N 7.404 128.709 121.223 0.137 0.000 2.282 97 L HA 0.637 4.977 4.340 -0.000 0.000 0.288 97 L C -1.113 175.802 176.870 0.074 0.000 1.033 97 L CA -0.222 54.629 54.840 0.018 0.000 0.807 97 L CB 0.794 42.785 42.059 -0.113 0.000 1.209 97 L HN 0.730 nan 8.230 nan 0.000 0.423 98 Y N -0.116 120.085 120.300 -0.165 0.000 2.625 98 Y HA 0.702 5.252 4.550 -0.000 0.000 0.338 98 Y C -0.607 175.235 175.900 -0.096 0.000 1.123 98 Y CA -1.156 56.898 58.100 -0.077 0.000 1.046 98 Y CB 1.129 39.485 38.460 -0.173 0.000 1.299 98 Y HN 0.330 nan 8.280 nan 0.000 0.464 99 T N 2.101 116.696 114.554 0.068 0.000 2.771 99 T HA 0.608 4.958 4.350 -0.000 0.000 0.291 99 T C 0.157 174.873 174.700 0.028 0.000 0.954 99 T CA -0.023 62.073 62.100 -0.006 0.000 1.045 99 T CB 0.701 69.686 68.868 0.196 0.000 0.917 99 T HN 0.998 nan 8.240 nan 0.000 0.484 100 G N 0.965 109.649 108.800 -0.193 0.000 2.489 100 G HA2 0.532 4.492 3.960 -0.000 0.000 0.327 100 G HA3 0.532 4.492 3.960 -0.000 0.000 0.327 100 G C -0.834 173.867 174.900 -0.331 0.000 1.189 100 G CA -0.596 44.351 45.100 -0.254 0.000 0.962 100 G HN 0.597 nan 8.290 nan 0.000 0.486 101 S N 0.334 115.709 115.700 -0.542 0.000 2.532 101 S HA 0.391 4.860 4.470 -0.000 0.000 0.318 101 S C -0.186 174.285 174.600 -0.215 0.000 1.083 101 S CA -0.864 57.075 58.200 -0.434 0.000 1.131 101 S CB 0.099 62.842 63.200 -0.762 0.000 0.973 101 S HN 0.735 nan 8.310 nan 0.000 0.468 102 D N 3.143 123.480 120.400 -0.106 0.000 2.411 102 D HA 0.229 4.869 4.640 -0.000 0.000 0.251 102 D C 1.595 177.872 176.300 -0.038 0.000 1.201 102 D CA -0.069 53.889 54.000 -0.070 0.000 0.996 102 D CB 0.238 41.010 40.800 -0.046 0.000 1.101 102 D HN 0.383 nan 8.370 nan 0.000 0.504 103 S N 0.419 116.101 115.700 -0.029 0.000 2.393 103 S HA -0.357 4.113 4.470 -0.000 0.000 0.234 103 S C 1.212 175.812 174.600 0.000 0.000 1.064 103 S CA 1.647 59.838 58.200 -0.015 0.000 1.088 103 S CB -0.972 62.221 63.200 -0.012 0.000 0.939 103 S HN 0.758 nan 8.310 nan 0.000 0.448 104 K N 1.166 121.570 120.400 0.006 0.000 2.708 104 K HA 0.404 4.724 4.320 -0.000 0.000 0.219 104 K C -0.071 176.550 176.600 0.036 0.000 1.068 104 K CA 0.356 56.654 56.287 0.019 0.000 1.212 104 K CB -0.306 32.203 32.500 0.015 0.000 0.978 104 K HN 0.165 nan 8.250 nan 0.000 0.475 105 S N 0.961 116.685 115.700 0.040 0.000 3.486 105 S HA -0.194 4.276 4.470 -0.000 0.000 0.371 105 S C -0.223 174.443 174.600 0.110 0.000 1.001 105 S CA 0.794 59.041 58.200 0.079 0.000 1.164 105 S CB -1.076 62.183 63.200 0.099 0.000 0.911 105 S HN 0.569 nan 8.310 nan 0.000 0.472 106 R N 0.390 120.941 120.500 0.085 0.000 2.596 106 R HA 0.464 4.803 4.340 -0.000 0.000 0.267 106 R C 0.175 176.565 176.300 0.150 0.000 1.026 106 R CA -0.699 55.468 56.100 0.113 0.000 1.087 106 R CB 0.625 30.970 30.300 0.074 0.000 1.132 106 R HN 0.344 nan 8.270 nan 0.000 0.531 107 Q N 1.524 121.454 119.800 0.216 0.000 2.368 107 Q HA 0.329 4.669 4.340 -0.000 0.000 0.256 107 Q C -0.679 175.443 176.000 0.203 0.000 0.980 107 Q CA -0.601 55.358 55.803 0.260 0.000 0.887 107 Q CB 1.770 30.720 28.738 0.354 0.000 1.221 107 Q HN 0.386 nan 8.270 nan 0.000 0.458 108 V N -0.194 119.758 119.914 0.063 0.000 3.001 108 V HA 0.519 4.639 4.120 -0.000 0.000 0.314 108 V C -0.850 175.137 176.094 -0.178 0.000 1.099 108 V CA -1.202 61.099 62.300 0.001 0.000 0.989 108 V CB 2.183 33.990 31.823 -0.027 0.000 1.040 108 V HN 0.494 nan 8.190 nan 0.000 0.434 109 Q N 2.320 121.978 119.800 -0.237 0.000 2.296 109 Q HA 0.553 4.893 4.340 -0.000 0.000 0.257 109 Q C -0.894 174.855 176.000 -0.419 0.000 0.942 109 Q CA 0.107 55.669 55.803 -0.401 0.000 0.939 109 Q CB 0.981 29.426 28.738 -0.489 0.000 1.198 109 Q HN 0.854 nan 8.270 nan 0.000 0.429 110 D N 1.223 121.238 120.400 -0.642 0.000 2.340 110 D HA 0.472 5.112 4.640 -0.000 0.000 0.243 110 D C -0.571 175.473 176.300 -0.427 0.000 0.988 110 D CA -0.557 53.082 54.000 -0.602 0.000 0.959 110 D CB 1.748 42.001 40.800 -0.912 0.000 1.226 110 D HN 0.295 nan 8.370 nan 0.000 0.509 111 L N 0.202 121.361 121.223 -0.106 0.000 2.333 111 L HA 0.783 5.123 4.340 -0.000 0.000 0.269 111 L C -1.212 175.815 176.870 0.262 0.000 1.010 111 L CA -0.507 54.415 54.840 0.136 0.000 0.818 111 L CB 1.621 43.814 42.059 0.224 0.000 1.306 111 L HN 0.597 nan 8.230 nan 0.000 0.430 112 A N 2.828 125.857 122.820 0.348 0.000 2.594 112 A HA 0.636 4.955 4.320 -0.000 0.000 0.296 112 A C -2.252 175.608 177.584 0.461 0.000 1.056 112 A CA -0.459 51.714 52.037 0.226 0.000 0.693 112 A CB 0.986 19.998 19.000 0.019 0.000 1.278 112 A HN 0.811 nan 8.150 nan 0.000 0.408 113 W N 0.982 122.357 121.300 0.124 0.000 3.118 113 W HA 0.796 5.456 4.660 -0.000 0.000 0.328 113 W C -3.093 173.044 176.519 -0.636 0.000 1.239 113 W CA -2.453 54.804 57.345 -0.147 0.000 1.176 113 W CB 0.816 30.192 29.460 -0.140 0.000 1.433 113 W HN 0.493 nan 8.180 nan 0.000 0.562 114 P HA -0.056 nan 4.420 nan 0.000 0.264 114 P C 0.126 177.073 177.300 -0.589 0.000 1.193 114 P CA 0.456 62.813 63.100 -1.239 0.000 0.763 114 P CB 1.804 32.864 31.700 -1.068 0.000 0.810 115 K N 3.384 123.464 120.400 -0.535 0.000 2.167 115 K HA -0.043 4.276 4.320 -0.000 0.000 0.203 115 K C 0.671 177.172 176.600 -0.165 0.000 1.052 115 K CA 0.670 56.770 56.287 -0.312 0.000 0.956 115 K CB 0.151 32.493 32.500 -0.263 0.000 0.735 115 K HN 0.309 nan 8.250 nan 0.000 0.451 116 N N 1.636 120.235 118.700 -0.169 0.000 2.898 116 N HA 0.039 4.778 4.740 -0.000 0.000 0.245 116 N C -0.100 175.369 175.510 -0.068 0.000 1.185 116 N CA -0.103 52.899 53.050 -0.079 0.000 0.879 116 N CB 1.070 39.531 38.487 -0.044 0.000 1.157 116 N HN 0.079 nan 8.380 nan 0.000 0.503 117 L N 2.347 123.543 121.223 -0.045 0.000 2.633 117 L HA 0.028 4.368 4.340 -0.000 0.000 0.235 117 L C 1.565 178.481 176.870 0.077 0.000 1.163 117 L CA 1.116 55.957 54.840 0.003 0.000 0.859 117 L CB -0.423 41.652 42.059 0.028 0.000 0.973 117 L HN 0.479 nan 8.230 nan 0.000 0.451 118 S N -3.386 112.341 115.700 0.046 0.000 2.554 118 S HA 0.129 4.598 4.470 -0.000 0.000 0.226 118 S C 0.416 175.039 174.600 0.039 0.000 0.980 118 S CA -0.503 57.726 58.200 0.048 0.000 0.939 118 S CB -0.288 62.927 63.200 0.024 0.000 0.832 118 S HN 0.385 nan 8.310 nan 0.000 0.486 119 D N 2.368 122.799 120.400 0.053 0.000 2.359 119 D HA 0.416 5.056 4.640 -0.000 0.000 0.230 119 D C -1.839 174.528 176.300 0.113 0.000 1.118 119 D CA -2.378 51.650 54.000 0.047 0.000 0.844 119 D CB 1.712 42.553 40.800 0.067 0.000 1.059 119 D HN -0.052 nan 8.370 nan 0.000 0.493 120 P HA -0.121 nan 4.420 nan 0.000 0.217 120 P C 0.519 178.075 177.300 0.427 0.000 1.148 120 P CA 0.934 64.100 63.100 0.111 0.000 0.828 120 P CB 0.036 31.651 31.700 -0.142 0.000 0.783 121 F N -1.811 118.270 119.950 0.218 0.000 2.693 121 F HA 0.255 4.781 4.527 -0.001 0.000 0.303 121 F C 0.996 177.095 175.800 0.498 0.000 1.097 121 F CA -1.286 56.886 58.000 0.287 0.000 1.330 121 F CB -1.282 37.791 39.000 0.122 0.000 1.067 121 F HN -0.249 nan 8.300 nan 0.000 0.565 122 L N 0.502 122.043 121.223 0.529 0.000 4.035 122 L HA -0.372 3.968 4.340 -0.000 0.000 0.490 122 L C 1.591 178.789 176.870 0.548 0.000 1.163 122 L CA 0.143 55.180 54.840 0.329 0.000 0.680 122 L CB -1.090 41.061 42.059 0.153 0.000 1.409 122 L HN 0.274 nan 8.230 nan 0.000 0.786 123 R N 0.367 121.129 120.500 0.435 0.000 2.055 123 R HA -0.029 4.311 4.340 -0.000 0.000 0.228 123 R C 0.517 177.079 176.300 0.436 0.000 1.143 123 R CA 0.995 57.387 56.100 0.486 0.000 0.945 123 R CB 0.085 30.589 30.300 0.340 0.000 0.841 123 R HN 0.354 nan 8.270 nan 0.000 0.429 124 E N -0.407 119.914 120.200 0.200 0.000 2.289 124 E HA 0.068 4.418 4.350 -0.000 0.000 0.278 124 E C -1.334 175.222 176.600 -0.073 0.000 1.032 124 E CA 0.180 56.650 56.400 0.117 0.000 0.854 124 E CB 0.546 30.262 29.700 0.026 0.000 1.046 124 E HN 0.081 nan 8.360 nan 0.000 0.409 125 W N 2.299 123.472 121.300 -0.211 0.000 2.702 125 W HA 0.531 5.191 4.660 -0.001 0.000 0.331 125 W C -0.717 175.539 176.519 -0.438 0.000 1.049 125 W CA -0.829 56.308 57.345 -0.346 0.000 1.230 125 W CB 1.347 30.550 29.460 -0.428 0.000 1.408 125 W HN 0.261 nan 8.180 nan 0.000 0.492 126 V N 4.037 123.681 119.914 -0.449 0.000 2.667 126 V HA 0.580 4.700 4.120 -0.000 0.000 0.308 126 V C -0.516 175.160 176.094 -0.696 0.000 1.048 126 V CA -0.979 60.973 62.300 -0.580 0.000 0.928 126 V CB 1.469 32.859 31.823 -0.721 0.000 1.004 126 V HN 0.519 nan 8.190 nan 0.000 0.444 127 K N 3.352 123.468 120.400 -0.472 0.000 2.156 127 K HA 0.447 4.766 4.320 -0.000 0.000 0.250 127 K C -0.958 175.532 176.600 -0.184 0.000 0.955 127 K CA -0.748 55.373 56.287 -0.277 0.000 0.855 127 K CB 1.489 33.909 32.500 -0.133 0.000 1.101 127 K HN 0.859 nan 8.250 nan 0.000 0.434 128 H N 1.750 120.836 119.070 0.027 0.000 2.732 128 H HA 0.045 4.601 4.556 -0.000 0.000 0.351 128 H C -1.886 173.494 175.328 0.086 0.000 1.090 128 H CA -1.147 55.033 56.048 0.221 0.000 1.431 128 H CB 1.172 31.136 29.762 0.335 0.000 1.447 128 H HN 0.330 nan 8.280 nan 0.000 0.582 129 P HA -0.084 nan 4.420 nan 0.000 0.219 129 P C 0.445 177.814 177.300 0.114 0.000 1.150 129 P CA 1.436 64.522 63.100 -0.023 0.000 0.814 129 P CB 0.285 31.925 31.700 -0.100 0.000 0.787 130 K N -0.939 119.671 120.400 0.350 0.000 2.555 130 K HA 0.030 4.350 4.320 -0.000 0.000 0.193 130 K C 0.235 176.926 176.600 0.152 0.000 1.032 130 K CA 0.104 56.551 56.287 0.268 0.000 1.004 130 K CB -0.541 32.146 32.500 0.311 0.000 0.804 130 K HN 0.203 nan 8.250 nan 0.000 0.496 131 N N 2.903 121.684 118.700 0.135 0.000 2.407 131 N HA 0.019 4.759 4.740 -0.000 0.000 0.250 131 N C -2.406 173.103 175.510 -0.002 0.000 1.236 131 N CA -0.828 52.239 53.050 0.029 0.000 0.879 131 N CB 0.324 38.807 38.487 -0.006 0.000 1.088 131 N HN 0.081 nan 8.380 nan 0.000 0.450 132 P HA 0.124 nan 4.420 nan 0.000 0.280 132 P C 0.435 177.713 177.300 -0.036 0.000 1.244 132 P CA -0.433 62.626 63.100 -0.069 0.000 0.784 132 P CB 1.015 32.671 31.700 -0.073 0.000 0.913 133 L N 3.090 124.278 121.223 -0.058 0.000 2.376 133 L HA 0.132 4.471 4.340 -0.000 0.000 0.219 133 L C 1.050 177.928 176.870 0.012 0.000 1.133 133 L CA 1.314 56.158 54.840 0.007 0.000 0.816 133 L CB -0.490 41.602 42.059 0.056 0.000 0.933 133 L HN 0.419 nan 8.230 nan 0.000 0.449 134 I N -1.860 118.670 120.570 -0.066 0.000 2.752 134 I HA 0.334 4.504 4.170 -0.000 0.000 0.295 134 I C -0.563 175.602 176.117 0.080 0.000 1.219 134 I CA -0.534 60.748 61.300 -0.031 0.000 1.030 134 I CB 2.311 40.150 38.000 -0.267 0.000 1.259 134 I HN -0.139 nan 8.210 nan 0.000 0.423 135 T N 1.390 116.009 114.554 0.108 0.000 2.906 135 T HA 0.565 4.915 4.350 -0.000 0.000 0.295 135 T C -2.926 171.657 174.700 -0.194 0.000 1.075 135 T CA -2.499 59.651 62.100 0.083 0.000 1.005 135 T CB 1.718 70.590 68.868 0.007 0.000 1.136 135 T HN 0.160 nan 8.240 nan 0.000 0.498 136 P HA 0.076 nan 4.420 nan 0.000 0.255 136 P C -1.985 174.930 177.300 -0.641 0.000 1.151 136 P CA -0.383 62.185 63.100 -0.887 0.000 0.767 136 P CB -0.385 31.111 31.700 -0.338 0.000 0.736 137 P HA -0.039 nan 4.420 nan 0.000 0.274 137 P C 1.076 178.187 177.300 -0.316 0.000 1.264 137 P CA -0.023 62.796 63.100 -0.468 0.000 0.795 137 P CB 0.784 32.148 31.700 -0.559 0.000 1.064 138 E N 0.492 120.566 120.200 -0.211 0.000 2.160 138 E HA -0.217 4.133 4.350 -0.000 0.000 0.237 138 E C 1.626 178.156 176.600 -0.117 0.000 1.069 138 E CA 2.413 58.732 56.400 -0.136 0.000 0.950 138 E CB -1.246 28.394 29.700 -0.101 0.000 0.832 138 E HN 0.749 nan 8.360 nan 0.000 0.496 139 G N 0.539 109.277 108.800 -0.102 0.000 3.678 139 G HA2 0.347 4.307 3.960 -0.000 0.000 0.287 139 G HA3 0.347 4.307 3.960 -0.000 0.000 0.287 139 G C -0.327 174.545 174.900 -0.047 0.000 1.280 139 G CA -0.204 44.861 45.100 -0.058 0.000 1.118 139 G HN -0.017 nan 8.290 nan 0.000 0.563 140 V N 1.163 121.014 119.914 -0.106 0.000 2.555 140 V HA 0.366 4.486 4.120 -0.000 0.000 0.302 140 V C -0.277 175.791 176.094 -0.043 0.000 1.038 140 V CA -1.400 60.858 62.300 -0.070 0.000 0.887 140 V CB 1.982 33.677 31.823 -0.214 0.000 0.991 140 V HN 0.186 nan 8.190 nan 0.000 0.434 141 K N 2.083 122.502 120.400 0.031 0.000 2.276 141 K HA 0.178 4.497 4.320 -0.000 0.000 0.259 141 K C 0.287 176.929 176.600 0.069 0.000 1.001 141 K CA -0.347 55.968 56.287 0.046 0.000 0.927 141 K CB 0.692 33.234 32.500 0.071 0.000 0.969 141 K HN 0.521 nan 8.250 nan 0.000 0.490 142 D N 0.583 121.026 120.400 0.073 0.000 2.363 142 D HA -0.049 4.590 4.640 -0.000 0.000 0.226 142 D C -0.205 176.196 176.300 0.168 0.000 1.020 142 D CA 0.915 54.981 54.000 0.109 0.000 0.892 142 D CB 0.200 41.051 40.800 0.086 0.000 0.900 142 D HN 0.351 nan 8.370 nan 0.000 0.531 143 D N -0.663 119.831 120.400 0.155 0.000 2.696 143 D HA 0.146 4.786 4.640 -0.000 0.000 0.269 143 D C -0.224 176.177 176.300 0.169 0.000 1.319 143 D CA -0.086 54.012 54.000 0.164 0.000 0.826 143 D CB 0.416 41.288 40.800 0.121 0.000 1.086 143 D HN 0.061 nan 8.370 nan 0.000 0.481 144 C N 1.031 120.465 119.300 0.223 0.000 3.254 144 C HA 0.294 4.754 4.460 -0.000 0.000 0.264 144 C C -0.486 174.753 174.990 0.416 0.000 2.396 144 C CA -0.667 58.506 59.018 0.259 0.000 1.468 144 C CB -0.565 27.301 27.740 0.210 0.000 2.871 144 C HN 0.222 nan 8.230 nan 0.000 0.480 145 F N 3.439 123.502 119.950 0.188 0.000 3.228 145 F HA 0.589 5.115 4.527 -0.000 0.000 0.385 145 F C -0.209 175.699 175.800 0.179 0.000 1.247 145 F CA -0.531 57.590 58.000 0.202 0.000 1.211 145 F CB 0.294 39.359 39.000 0.109 0.000 1.719 145 F HN 0.476 nan 8.300 nan 0.000 0.630 146 R N 2.116 122.597 120.500 -0.032 0.000 2.762 146 R HA 0.564 4.904 4.340 -0.000 0.000 0.271 146 R C -1.601 174.682 176.300 -0.027 0.000 1.038 146 R CA -0.863 55.196 56.100 -0.068 0.000 0.906 146 R CB 0.824 31.198 30.300 0.124 0.000 1.259 146 R HN 0.169 nan 8.270 nan 0.000 0.457 147 D N 0.203 120.617 120.400 0.024 0.000 2.848 147 D HA -0.075 4.565 4.640 -0.000 0.000 0.245 147 D C -2.333 173.981 176.300 0.023 0.000 1.122 147 D CA 0.672 54.711 54.000 0.065 0.000 0.769 147 D CB -0.954 39.907 40.800 0.102 0.000 1.025 147 D HN 0.496 nan 8.370 nan 0.000 0.423 148 P HA 0.041 nan 4.420 nan 0.000 0.268 148 P C 0.494 177.812 177.300 0.031 0.000 1.204 148 P CA -0.009 63.029 63.100 -0.103 0.000 0.768 148 P CB 1.055 32.600 31.700 -0.259 0.000 0.842 149 S N 2.340 118.098 115.700 0.096 0.000 2.652 149 S HA 0.261 4.731 4.470 -0.000 0.000 0.267 149 S C 0.263 175.013 174.600 0.251 0.000 1.201 149 S CA -0.349 57.986 58.200 0.225 0.000 0.996 149 S CB -0.296 63.123 63.200 0.365 0.000 1.054 149 S HN 0.417 nan 8.310 nan 0.000 0.561 150 T N 1.654 116.423 114.554 0.359 0.000 2.907 150 T HA 0.565 4.915 4.350 -0.000 0.000 0.298 150 T C 0.380 175.399 174.700 0.533 0.000 1.017 150 T CA 0.122 62.462 62.100 0.400 0.000 1.118 150 T CB 0.575 69.695 68.868 0.419 0.000 0.948 150 T HN 0.934 nan 8.240 nan 0.000 0.531 151 A N 2.622 125.747 122.820 0.509 0.000 2.286 151 A HA 0.707 5.026 4.320 -0.000 0.000 0.286 151 A C -0.736 177.388 177.584 0.899 0.000 1.097 151 A CA -0.884 51.504 52.037 0.586 0.000 0.821 151 A CB 0.368 19.741 19.000 0.623 0.000 1.076 151 A HN 0.957 nan 8.150 nan 0.000 0.490 152 W N 0.655 122.409 121.300 0.756 0.000 2.883 152 W HA 0.606 5.265 4.660 -0.000 0.000 0.335 152 W C -1.621 175.247 176.519 0.582 0.000 1.083 152 W CA -1.215 56.522 57.345 0.654 0.000 1.233 152 W CB 0.900 30.681 29.460 0.534 0.000 1.412 152 W HN 0.459 nan 8.180 nan 0.000 0.490 153 L N 4.734 126.188 121.223 0.385 0.000 2.261 153 L HA 0.637 4.977 4.340 -0.000 0.000 0.289 153 L C 0.727 177.728 176.870 0.218 0.000 1.059 153 L CA -0.140 54.610 54.840 -0.149 0.000 0.816 153 L CB 0.232 41.859 42.059 -0.721 0.000 1.191 153 L HN 0.782 nan 8.230 nan 0.000 0.431 154 G N 5.640 114.524 108.800 0.140 0.000 2.614 154 G HA2 0.205 4.165 3.960 -0.000 0.000 0.239 154 G HA3 0.205 4.165 3.960 -0.000 0.000 0.239 154 G C -1.658 173.214 174.900 -0.045 0.000 1.240 154 G CA -0.555 44.575 45.100 0.050 0.000 0.842 154 G HN 0.699 nan 8.290 nan 0.000 0.584 155 P HA -0.084 nan 4.420 nan 0.000 0.228 155 P C 0.625 177.890 177.300 -0.057 0.000 1.151 155 P CA 1.142 64.201 63.100 -0.068 0.000 0.770 155 P CB 0.210 31.840 31.700 -0.116 0.000 0.786 156 D N -0.979 119.376 120.400 -0.075 0.000 2.325 156 D HA 0.083 4.723 4.640 -0.000 0.000 0.234 156 D C 1.220 177.482 176.300 -0.063 0.000 1.122 156 D CA 0.018 53.985 54.000 -0.055 0.000 0.850 156 D CB -1.139 39.634 40.800 -0.046 0.000 0.921 156 D HN 0.160 nan 8.370 nan 0.000 0.513 157 G N 0.010 108.758 108.800 -0.087 0.000 2.249 157 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.273 157 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.273 157 G C -0.058 174.727 174.900 -0.190 0.000 1.036 157 G CA 0.412 45.425 45.100 -0.145 0.000 0.824 157 G HN 0.390 nan 8.290 nan 0.000 0.504 158 V N -0.514 119.302 119.914 -0.164 0.000 2.487 158 V HA 0.618 4.738 4.120 -0.000 0.000 0.298 158 V C 0.475 176.510 176.094 -0.097 0.000 1.028 158 V CA -1.322 60.909 62.300 -0.115 0.000 0.860 158 V CB 1.234 33.045 31.823 -0.020 0.000 0.991 158 V HN 0.362 nan 8.190 nan 0.000 0.427 159 W N 3.727 125.062 121.300 0.059 0.000 2.112 159 W HA 0.569 5.229 4.660 -0.000 0.000 0.349 159 W C 0.672 177.213 176.519 0.037 0.000 1.289 159 W CA -0.119 57.295 57.345 0.115 0.000 1.256 159 W CB 0.501 30.101 29.460 0.233 0.000 1.148 159 W HN 0.368 nan 8.180 nan 0.000 0.590 160 R N 2.538 123.118 120.500 0.133 0.000 2.626 160 R HA 0.632 4.971 4.340 -0.000 0.000 0.274 160 R C -1.045 174.798 176.300 -0.762 0.000 1.031 160 R CA -1.013 54.869 56.100 -0.364 0.000 0.898 160 R CB 1.866 31.674 30.300 -0.821 0.000 1.222 160 R HN 0.570 nan 8.270 nan 0.000 0.455 161 I N -1.503 118.793 120.570 -0.456 0.000 2.913 161 I HA 0.711 4.881 4.170 -0.000 0.000 0.302 161 I C -0.679 175.426 176.117 -0.019 0.000 1.246 161 I CA -1.291 59.810 61.300 -0.331 0.000 1.010 161 I CB 2.365 40.132 38.000 -0.389 0.000 1.259 161 I HN 0.356 nan 8.210 nan 0.000 0.434 162 V N 2.084 122.116 119.914 0.196 0.000 2.581 162 V HA 0.834 4.953 4.120 -0.000 0.000 0.303 162 V C -0.430 175.785 176.094 0.202 0.000 1.041 162 V CA -0.712 61.752 62.300 0.273 0.000 0.907 162 V CB 1.462 33.480 31.823 0.326 0.000 0.994 162 V HN 0.625 nan 8.190 nan 0.000 0.442 163 V N 2.886 122.955 119.914 0.259 0.000 2.588 163 V HA 0.757 4.877 4.120 -0.000 0.000 0.304 163 V C 1.018 177.282 176.094 0.284 0.000 1.042 163 V CA 0.111 62.493 62.300 0.136 0.000 0.877 163 V CB 1.507 33.264 31.823 -0.111 0.000 0.996 163 V HN 1.295 nan 8.190 nan 0.000 0.425 164 G N 1.997 110.932 108.800 0.225 0.000 2.664 164 G HA2 0.574 4.534 3.960 -0.000 0.000 0.242 164 G HA3 0.574 4.534 3.960 -0.000 0.000 0.242 164 G C 0.357 175.491 174.900 0.390 0.000 1.225 164 G CA 0.665 45.955 45.100 0.317 0.000 0.849 164 G HN 1.462 nan 8.290 nan 0.000 0.581 165 G N -0.180 108.826 108.800 0.345 0.000 2.404 165 G HA2 0.540 4.499 3.960 -0.000 0.000 0.253 165 G HA3 0.540 4.499 3.960 -0.000 0.000 0.253 165 G C -1.619 173.381 174.900 0.168 0.000 1.253 165 G CA 0.498 45.862 45.100 0.441 0.000 0.917 165 G HN 1.598 nan 8.290 nan 0.000 0.480 166 D N -1.180 119.357 120.400 0.228 0.000 2.926 166 D HA 0.423 5.063 4.640 -0.000 0.000 0.272 166 D C -1.302 175.099 176.300 0.169 0.000 1.172 166 D CA -0.615 53.403 54.000 0.029 0.000 0.731 166 D CB 1.279 42.095 40.800 0.026 0.000 1.282 166 D HN 0.659 nan 8.370 nan 0.000 0.430 167 R N 0.604 121.141 120.500 0.061 0.000 2.502 167 R HA 0.321 4.661 4.340 -0.000 0.000 0.298 167 R C -0.972 175.340 176.300 0.019 0.000 1.018 167 R CA -0.379 55.771 56.100 0.083 0.000 0.899 167 R CB 0.564 30.927 30.300 0.105 0.000 1.181 167 R HN 0.491 nan 8.270 nan 0.000 0.444 168 D N 3.014 123.430 120.400 0.025 0.000 2.746 168 D HA -0.226 4.413 4.640 -0.000 0.000 0.236 168 D C 0.075 176.374 176.300 -0.000 0.000 1.129 168 D CA 1.447 55.453 54.000 0.010 0.000 0.691 168 D CB -0.751 40.048 40.800 -0.001 0.000 1.077 168 D HN 0.919 nan 8.370 nan 0.000 0.432 169 N N -0.789 117.918 118.700 0.012 0.000 2.857 169 N HA -0.254 4.486 4.740 -0.000 0.000 0.242 169 N C -0.723 174.766 175.510 -0.034 0.000 0.983 169 N CA 1.463 54.518 53.050 0.008 0.000 0.934 169 N CB -0.734 37.762 38.487 0.014 0.000 1.115 169 N HN 0.317 nan 8.380 nan 0.000 0.593 170 N N 0.534 119.192 118.700 -0.071 0.000 2.439 170 N HA 0.384 5.124 4.740 -0.000 0.000 0.243 170 N C 0.326 175.674 175.510 -0.271 0.000 1.088 170 N CA 0.613 53.572 53.050 -0.151 0.000 0.940 170 N CB 0.803 39.209 38.487 -0.136 0.000 1.180 170 N HN 0.413 nan 8.380 nan 0.000 0.505 171 G N 1.907 110.496 108.800 -0.351 0.000 2.559 171 G HA2 0.410 4.370 3.960 -0.000 0.000 0.235 171 G HA3 0.410 4.370 3.960 -0.000 0.000 0.235 171 G C 0.052 174.137 174.900 -1.358 0.000 1.266 171 G CA -0.058 44.646 45.100 -0.660 0.000 0.847 171 G HN 0.591 nan 8.290 nan 0.000 0.583 172 M N -0.424 118.314 119.600 -1.438 0.000 2.790 172 M HA 0.626 5.106 4.480 -0.000 0.000 0.272 172 M C -1.007 174.782 176.300 -0.853 0.000 1.168 172 M CA -1.094 53.302 55.300 -1.507 0.000 0.829 172 M CB 1.885 33.864 32.600 -1.035 0.000 1.675 172 M HN 0.759 nan 8.290 nan 0.000 0.505 173 A N 1.948 124.459 122.820 -0.515 0.000 2.444 173 A HA 0.722 5.042 4.320 -0.000 0.000 0.332 173 A C -1.251 176.297 177.584 -0.060 0.000 1.430 173 A CA -0.416 51.621 52.037 -0.000 0.000 0.975 173 A CB -0.455 18.723 19.000 0.297 0.000 1.147 173 A HN 0.562 nan 8.150 nan 0.000 0.524 174 F N 1.714 121.785 119.950 0.203 0.000 2.538 174 F HA 0.298 4.825 4.527 -0.000 0.000 0.371 174 F C 0.376 176.321 175.800 0.241 0.000 1.087 174 F CA -0.120 58.013 58.000 0.221 0.000 1.250 174 F CB 0.694 39.951 39.000 0.427 0.000 1.110 174 F HN 0.434 nan 8.300 nan 0.000 0.570 175 L N 5.363 126.756 121.223 0.284 0.000 2.295 175 L HA 0.488 4.827 4.340 -0.000 0.000 0.285 175 L C -1.384 175.533 176.870 0.077 0.000 1.035 175 L CA -0.581 54.374 54.840 0.193 0.000 0.806 175 L CB 0.379 42.480 42.059 0.069 0.000 1.214 175 L HN 0.420 nan 8.230 nan 0.000 0.426 176 Y N 2.633 123.012 120.300 0.131 0.000 2.570 176 Y HA 0.677 5.227 4.550 -0.000 0.000 0.345 176 Y C -0.290 175.781 175.900 0.285 0.000 1.014 176 Y CA -0.686 57.538 58.100 0.207 0.000 1.063 176 Y CB 1.989 40.535 38.460 0.143 0.000 1.272 176 Y HN 0.519 nan 8.280 nan 0.000 0.477 177 Q N 0.742 120.849 119.800 0.511 0.000 2.423 177 Q HA 0.767 5.107 4.340 -0.000 0.000 0.278 177 Q C -1.320 174.794 176.000 0.190 0.000 1.097 177 Q CA -1.047 54.972 55.803 0.360 0.000 0.809 177 Q CB 2.943 31.808 28.738 0.212 0.000 1.391 177 Q HN 0.608 nan 8.270 nan 0.000 0.428 178 S N -0.954 114.704 115.700 -0.070 0.000 2.587 178 S HA 0.464 4.934 4.470 -0.000 0.000 0.269 178 S C -0.429 174.098 174.600 -0.122 0.000 1.154 178 S CA -0.124 57.840 58.200 -0.394 0.000 0.824 178 S CB 1.433 63.761 63.200 -1.452 0.000 1.118 178 S HN 0.717 nan 8.310 nan 0.000 0.462 179 T N -0.833 113.661 114.554 -0.099 0.000 2.959 179 T HA 0.220 4.570 4.350 -0.000 0.000 0.254 179 T C 0.609 175.378 174.700 0.113 0.000 1.003 179 T CA 0.580 62.702 62.100 0.036 0.000 0.950 179 T CB -0.134 68.729 68.868 -0.009 0.000 1.090 179 T HN 0.657 nan 8.240 nan 0.000 0.503 180 D N -0.353 120.039 120.400 -0.013 0.000 2.469 180 D HA 0.120 4.760 4.640 -0.000 0.000 0.213 180 D C 0.762 177.050 176.300 -0.021 0.000 1.135 180 D CA -0.671 53.329 54.000 0.000 0.000 0.834 180 D CB -0.225 40.537 40.800 -0.065 0.000 1.009 180 D HN 0.207 nan 8.370 nan 0.000 0.507 181 F N 0.138 119.817 119.950 -0.452 0.000 2.794 181 F HA -0.326 4.201 4.527 -0.000 0.000 0.335 181 F C 0.444 175.988 175.800 -0.427 0.000 0.653 181 F CA 0.819 58.472 58.000 -0.579 0.000 1.266 181 F CB -1.282 37.478 39.000 -0.401 0.000 1.666 181 F HN 0.022 nan 8.300 nan 0.000 0.314 182 V N -1.702 117.931 119.914 -0.468 0.000 3.219 182 V HA 0.195 4.315 4.120 -0.000 0.000 0.240 182 V C 0.699 176.576 176.094 -0.363 0.000 1.222 182 V CA 0.853 62.948 62.300 -0.343 0.000 1.181 182 V CB 0.186 31.820 31.823 -0.316 0.000 0.941 182 V HN 0.202 nan 8.190 nan 0.000 0.471 183 N N 0.836 119.271 118.700 -0.442 0.000 2.527 183 N HA 0.247 4.987 4.740 -0.000 0.000 0.236 183 N C -1.496 173.780 175.510 -0.389 0.000 0.999 183 N CA -0.098 52.790 53.050 -0.270 0.000 0.935 183 N CB 0.767 39.163 38.487 -0.151 0.000 1.132 183 N HN 0.365 nan 8.380 nan 0.000 0.511 184 W N 1.972 123.255 121.300 -0.027 0.000 2.390 184 W HA 0.361 5.021 4.660 -0.001 0.000 0.312 184 W C 0.488 177.097 176.519 0.150 0.000 1.123 184 W CA -0.768 56.604 57.345 0.044 0.000 1.202 184 W CB 1.216 30.666 29.460 -0.017 0.000 1.251 184 W HN -0.084 nan 8.180 nan 0.000 0.511 185 K N 3.462 124.082 120.400 0.366 0.000 2.235 185 K HA 0.352 4.672 4.320 -0.000 0.000 0.266 185 K C -0.184 176.541 176.600 0.209 0.000 0.980 185 K CA -1.181 55.249 56.287 0.239 0.000 0.849 185 K CB 1.962 34.535 32.500 0.121 0.000 1.098 185 K HN 0.533 nan 8.250 nan 0.000 0.445 186 R N 2.486 122.991 120.500 0.008 0.000 2.491 186 R HA 0.071 4.411 4.340 -0.000 0.000 0.283 186 R C -0.894 175.303 176.300 -0.171 0.000 1.072 186 R CA -0.225 55.584 56.100 -0.484 0.000 1.048 186 R CB 0.361 30.323 30.300 -0.563 0.000 0.983 186 R HN 0.566 nan 8.270 nan 0.000 0.450 187 Y N 5.083 125.232 120.300 -0.252 0.000 2.313 187 Y HA 0.008 4.558 4.550 -0.000 0.000 0.332 187 Y C 1.179 177.036 175.900 -0.072 0.000 1.071 187 Y CA -0.041 58.006 58.100 -0.089 0.000 1.169 187 Y CB 1.001 39.450 38.460 -0.018 0.000 1.192 187 Y HN 0.883 nan 8.280 nan 0.000 0.487 188 D N 2.802 122.993 120.400 -0.349 0.000 2.191 188 D HA -0.301 4.338 4.640 -0.000 0.000 0.190 188 D C -0.051 176.257 176.300 0.012 0.000 1.007 188 D CA 1.651 55.532 54.000 -0.199 0.000 0.865 188 D CB -0.228 40.391 40.800 -0.302 0.000 0.929 188 D HN 0.759 nan 8.370 nan 0.000 0.447 189 Q N 0.787 120.701 119.800 0.190 0.000 2.248 189 Q HA 0.566 4.906 4.340 -0.000 0.000 0.263 189 Q C -2.794 173.372 176.000 0.276 0.000 1.007 189 Q CA -2.089 53.853 55.803 0.232 0.000 0.877 189 Q CB 2.228 31.099 28.738 0.222 0.000 1.315 189 Q HN -0.027 nan 8.270 nan 0.000 0.454 190 P HA 0.026 nan 4.420 nan 0.000 0.276 190 P C 0.078 177.404 177.300 0.043 0.000 1.252 190 P CA -0.513 62.619 63.100 0.053 0.000 0.802 190 P CB 1.041 32.651 31.700 -0.149 0.000 1.035 191 L N 0.226 121.456 121.223 0.012 0.000 2.217 191 L HA 0.125 4.465 4.340 -0.000 0.000 0.211 191 L C 0.764 177.686 176.870 0.088 0.000 1.107 191 L CA 1.651 56.488 54.840 -0.005 0.000 0.783 191 L CB -0.266 41.699 42.059 -0.157 0.000 0.919 191 L HN 0.487 nan 8.230 nan 0.000 0.442 192 S N -2.413 113.321 115.700 0.057 0.000 2.558 192 S HA 0.650 5.120 4.470 -0.000 0.000 0.277 192 S C -0.890 173.595 174.600 -0.193 0.000 1.143 192 S CA -0.572 57.710 58.200 0.136 0.000 0.865 192 S CB 1.132 64.590 63.200 0.429 0.000 1.102 192 S HN 0.082 nan 8.310 nan 0.000 0.454 193 S N 0.909 116.512 115.700 -0.162 0.000 2.732 193 S HA 1.021 5.491 4.470 -0.000 0.000 0.293 193 S C -1.289 173.198 174.600 -0.189 0.000 1.159 193 S CA -0.232 57.710 58.200 -0.430 0.000 0.847 193 S CB 1.776 64.793 63.200 -0.304 0.000 1.169 193 S HN 1.500 nan 8.310 nan 0.000 0.501 194 A N 1.351 124.000 122.820 -0.285 0.000 2.547 194 A HA 0.569 4.889 4.320 -0.000 0.000 0.298 194 A C -2.070 175.397 177.584 -0.196 0.000 1.062 194 A CA -0.790 51.162 52.037 -0.141 0.000 0.748 194 A CB 0.747 19.709 19.000 -0.064 0.000 1.288 194 A HN 0.585 nan 8.150 nan 0.000 0.396 195 D N 1.835 122.160 120.400 -0.124 0.000 2.382 195 D HA 0.468 5.107 4.640 -0.000 0.000 0.245 195 D C 1.070 177.314 176.300 -0.093 0.000 1.120 195 D CA 1.364 55.303 54.000 -0.103 0.000 0.890 195 D CB 1.153 41.915 40.800 -0.063 0.000 1.201 195 D HN 1.578 nan 8.370 nan 0.000 0.433 196 A N 2.218 124.994 122.820 -0.074 0.000 2.364 196 A HA -0.205 4.114 4.320 -0.000 0.000 0.288 196 A C 1.280 178.845 177.584 -0.031 0.000 1.433 196 A CA 1.577 53.590 52.037 -0.039 0.000 0.757 196 A CB -1.865 17.125 19.000 -0.016 0.000 1.098 196 A HN 0.661 nan 8.150 nan 0.000 0.380 197 T N -2.754 111.761 114.554 -0.064 0.000 2.985 197 T HA 0.519 4.869 4.350 -0.000 0.000 0.254 197 T C 1.746 176.507 174.700 0.101 0.000 1.021 197 T CA 1.160 63.236 62.100 -0.041 0.000 0.957 197 T CB 0.325 68.961 68.868 -0.388 0.000 1.047 197 T HN 2.632 nan 8.240 nan 0.000 0.511 198 G N 1.321 110.165 108.800 0.073 0.000 2.728 198 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.294 198 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.294 198 G C -0.330 174.684 174.900 0.190 0.000 1.342 198 G CA -0.638 44.539 45.100 0.128 0.000 0.866 198 G HN 0.555 nan 8.290 nan 0.000 0.534 199 T N 0.704 115.385 114.554 0.212 0.000 2.934 199 T HA 0.273 4.623 4.350 -0.000 0.000 0.306 199 T C -0.043 174.928 174.700 0.452 0.000 1.042 199 T CA 0.818 63.080 62.100 0.269 0.000 1.145 199 T CB 0.354 69.362 68.868 0.233 0.000 0.982 199 T HN 0.508 nan 8.240 nan 0.000 0.544 200 W N 2.921 124.316 121.300 0.158 0.000 2.322 200 W HA 0.370 5.030 4.660 -0.000 0.000 0.307 200 W C 0.436 177.083 176.519 0.214 0.000 1.220 200 W CA -0.830 56.651 57.345 0.227 0.000 1.210 200 W CB 0.242 29.789 29.460 0.144 0.000 1.223 200 W HN 0.607 nan 8.180 nan 0.000 0.511 201 Q N 1.975 121.987 119.800 0.353 0.000 2.345 201 Q HA 0.381 4.721 4.340 -0.000 0.000 0.268 201 Q C 0.087 176.153 176.000 0.111 0.000 1.054 201 Q CA -0.745 55.188 55.803 0.218 0.000 0.835 201 Q CB 2.008 30.869 28.738 0.206 0.000 1.339 201 Q HN 0.512 nan 8.270 nan 0.000 0.447 202 C N 1.759 121.121 119.300 0.103 0.000 4.167 202 C HA -0.107 4.353 4.460 -0.000 0.000 0.302 202 C C -1.844 173.214 174.990 0.113 0.000 1.384 202 C CA -0.448 58.615 59.018 0.076 0.000 2.041 202 C CB -2.498 25.237 27.740 -0.009 0.000 1.303 202 C HN 0.626 nan 8.230 nan 0.000 0.718 203 P HA 0.282 nan 4.420 nan 0.000 0.266 203 P C -0.321 177.121 177.300 0.235 0.000 1.195 203 P CA 1.006 64.227 63.100 0.202 0.000 0.768 203 P CB 0.768 32.644 31.700 0.293 0.000 0.838 204 D N 2.004 122.555 120.400 0.251 0.000 2.787 204 D HA 0.484 5.124 4.640 -0.000 0.000 0.246 204 D C -1.941 174.542 176.300 0.304 0.000 1.150 204 D CA -0.533 53.666 54.000 0.332 0.000 0.864 204 D CB 0.953 41.987 40.800 0.390 0.000 1.481 204 D HN 0.110 nan 8.370 nan 0.000 0.509 205 F N 5.218 125.223 119.950 0.092 0.000 2.579 205 F HA 0.512 5.039 4.527 -0.000 0.000 0.325 205 F C -1.675 174.011 175.800 -0.191 0.000 1.162 205 F CA -0.493 57.348 58.000 -0.265 0.000 0.946 205 F CB 0.818 39.501 39.000 -0.528 0.000 1.211 205 F HN 0.321 nan 8.300 nan 0.000 0.447 206 Y N 4.455 124.327 120.300 -0.714 0.000 2.638 206 Y HA 0.822 5.372 4.550 -0.001 0.000 0.335 206 Y C -3.346 172.096 175.900 -0.763 0.000 1.155 206 Y CA -2.936 54.835 58.100 -0.549 0.000 1.046 206 Y CB 1.161 39.480 38.460 -0.234 0.000 1.303 206 Y HN 0.278 nan 8.280 nan 0.000 0.460 207 P HA 0.512 nan 4.420 nan 0.000 0.287 207 P C -1.239 175.906 177.300 -0.257 0.000 1.279 207 P CA -0.633 62.007 63.100 -0.768 0.000 0.867 207 P CB 2.753 33.984 31.700 -0.781 0.000 1.127 208 V N -2.213 117.571 119.914 -0.218 0.000 2.623 208 V HA 0.524 4.644 4.120 -0.000 0.000 0.304 208 V C -2.804 173.270 176.094 -0.034 0.000 1.054 208 V CA -2.916 59.357 62.300 -0.044 0.000 0.882 208 V CB 1.861 33.705 31.823 0.034 0.000 1.002 208 V HN 0.394 nan 8.190 nan 0.000 0.424 209 P HA 0.262 nan 4.420 nan 0.000 0.271 209 P C -0.205 177.118 177.300 0.038 0.000 1.226 209 P CA -0.046 63.057 63.100 0.005 0.000 0.765 209 P CB 1.229 32.931 31.700 0.004 0.000 0.835 210 L N 3.399 124.644 121.223 0.036 0.000 2.439 210 L HA 0.096 4.436 4.340 -0.000 0.000 0.269 210 L C 1.326 178.222 176.870 0.043 0.000 1.179 210 L CA 0.015 54.886 54.840 0.051 0.000 0.828 210 L CB -0.466 41.623 42.059 0.050 0.000 1.106 210 L HN 0.515 nan 8.230 nan 0.000 0.467 211 N N 0.962 119.693 118.700 0.051 0.000 2.705 211 N HA -0.229 4.511 4.740 -0.000 0.000 0.255 211 N C -0.951 174.563 175.510 0.007 0.000 1.008 211 N CA 1.048 54.117 53.050 0.033 0.000 0.742 211 N CB -0.314 38.187 38.487 0.023 0.000 0.906 211 N HN 0.676 nan 8.380 nan 0.000 0.541 212 S N -1.626 114.079 115.700 0.008 0.000 2.543 212 S HA 0.552 5.022 4.470 -0.000 0.000 0.274 212 S C 0.387 174.929 174.600 -0.097 0.000 1.149 212 S CA 0.023 58.194 58.200 -0.048 0.000 0.866 212 S CB 0.868 64.053 63.200 -0.024 0.000 1.111 212 S HN 0.533 nan 8.310 nan 0.000 0.457 213 T N 0.507 114.889 114.554 -0.286 0.000 3.214 213 T HA 0.398 4.748 4.350 -0.000 0.000 0.264 213 T C 0.136 174.644 174.700 -0.319 0.000 1.012 213 T CA -0.407 61.308 62.100 -0.642 0.000 0.901 213 T CB -0.495 67.631 68.868 -1.237 0.000 1.070 213 T HN 0.396 nan 8.240 nan 0.000 0.561 214 N N 0.840 119.480 118.700 -0.099 0.000 2.502 214 N HA 0.631 5.371 4.740 -0.000 0.000 0.280 214 N C 0.289 175.855 175.510 0.093 0.000 1.223 214 N CA -0.437 52.612 53.050 -0.002 0.000 0.966 214 N CB 1.402 39.894 38.487 0.008 0.000 1.203 214 N HN 0.412 nan 8.380 nan 0.000 0.565 215 G N -0.528 108.371 108.800 0.166 0.000 2.511 215 G HA2 0.707 4.667 3.960 -0.000 0.000 0.316 215 G HA3 0.707 4.667 3.960 -0.000 0.000 0.316 215 G C -0.813 174.132 174.900 0.076 0.000 1.210 215 G CA -0.406 44.808 45.100 0.190 0.000 0.969 215 G HN 0.330 nan 8.290 nan 0.000 0.492 216 L N -0.359 120.727 121.223 -0.228 0.000 2.409 216 L HA 0.307 4.646 4.340 -0.000 0.000 0.262 216 L C -0.718 175.525 176.870 -1.046 0.000 0.992 216 L CA -0.964 53.533 54.840 -0.571 0.000 0.817 216 L CB 2.523 44.401 42.059 -0.302 0.000 1.350 216 L HN 0.611 nan 8.230 nan 0.000 0.411 217 D N 0.116 119.751 120.400 -1.276 0.000 2.400 217 D HA 0.019 4.659 4.640 -0.000 0.000 0.238 217 D C 1.057 177.184 176.300 -0.288 0.000 1.157 217 D CA 0.145 53.655 54.000 -0.817 0.000 0.889 217 D CB 1.293 41.883 40.800 -0.349 0.000 1.199 217 D HN 0.582 nan 8.370 nan 0.000 0.436 218 T N 1.022 115.568 114.554 -0.013 0.000 2.822 218 T HA -0.144 4.206 4.350 -0.000 0.000 0.270 218 T C 1.174 175.936 174.700 0.102 0.000 1.064 218 T CA 1.127 63.297 62.100 0.116 0.000 1.131 218 T CB -0.110 68.981 68.868 0.372 0.000 0.858 218 T HN 0.265 nan 8.240 nan 0.000 0.483 219 S N 1.299 117.059 115.700 0.100 0.000 2.596 219 S HA 0.371 4.840 4.470 -0.000 0.000 0.248 219 S C -0.037 174.368 174.600 -0.325 0.000 1.162 219 S CA -0.412 57.818 58.200 0.051 0.000 1.185 219 S CB -0.050 63.307 63.200 0.261 0.000 0.833 219 S HN 0.170 nan 8.310 nan 0.000 0.472 220 V N 2.109 121.706 119.914 -0.528 0.000 2.513 220 V HA 0.550 4.669 4.120 -0.000 0.000 0.299 220 V C -0.951 174.751 176.094 -0.653 0.000 1.035 220 V CA -0.716 61.311 62.300 -0.456 0.000 0.889 220 V CB 1.034 32.706 31.823 -0.251 0.000 0.988 220 V HN 0.452 nan 8.190 nan 0.000 0.440 221 Y N 1.820 122.226 120.300 0.176 0.000 2.512 221 Y HA 0.923 5.473 4.550 -0.001 0.000 0.348 221 Y C 0.560 176.541 175.900 0.136 0.000 0.990 221 Y CA -0.404 57.829 58.100 0.221 0.000 1.033 221 Y CB 2.611 41.184 38.460 0.187 0.000 1.259 221 Y HN 0.915 nan 8.280 nan 0.000 0.461 222 G N -0.454 108.508 108.800 0.270 0.000 2.315 222 G HA2 0.371 4.331 3.960 -0.000 0.000 0.294 222 G HA3 0.371 4.331 3.960 -0.000 0.000 0.294 222 G C 0.088 175.071 174.900 0.139 0.000 1.300 222 G CA -0.199 45.001 45.100 0.166 0.000 0.843 222 G HN 0.913 nan 8.290 nan 0.000 0.527 223 G N -0.655 108.204 108.800 0.099 0.000 2.662 223 G HA2 0.283 4.243 3.960 -0.000 0.000 0.212 223 G HA3 0.283 4.243 3.960 -0.000 0.000 0.212 223 G C 1.484 176.428 174.900 0.074 0.000 1.141 223 G CA 1.705 46.856 45.100 0.085 0.000 0.797 223 G HN 1.603 nan 8.290 nan 0.000 0.531 224 S N -0.132 115.606 115.700 0.064 0.000 2.660 224 S HA 0.484 4.954 4.470 -0.000 0.000 0.227 224 S C -0.002 174.624 174.600 0.043 0.000 0.948 224 S CA -0.431 57.798 58.200 0.049 0.000 0.948 224 S CB 0.373 63.595 63.200 0.037 0.000 0.779 224 S HN -0.022 nan 8.310 nan 0.000 0.487 225 V N 1.436 121.386 119.914 0.060 0.000 2.789 225 V HA 0.648 4.768 4.120 -0.000 0.000 0.311 225 V C -0.460 175.682 176.094 0.080 0.000 1.073 225 V CA -0.891 61.430 62.300 0.035 0.000 0.921 225 V CB 2.006 33.841 31.823 0.021 0.000 1.009 225 V HN 0.226 nan 8.190 nan 0.000 0.426 226 R N 0.786 121.300 120.500 0.022 0.000 2.803 226 R HA 0.636 4.976 4.340 -0.000 0.000 0.276 226 R C -1.299 174.965 176.300 -0.060 0.000 0.978 226 R CA -0.915 55.237 56.100 0.087 0.000 0.939 226 R CB 2.064 32.412 30.300 0.080 0.000 1.179 226 R HN 0.806 nan 8.270 nan 0.000 0.472 227 H N -0.813 118.265 119.070 0.014 0.000 2.529 227 H HA 0.491 5.046 4.556 -0.000 0.000 0.348 227 H C -0.574 174.557 175.328 -0.328 0.000 1.152 227 H CA -0.446 55.422 56.048 -0.299 0.000 1.202 227 H CB 1.806 31.309 29.762 -0.431 0.000 1.562 227 H HN 0.060 nan 8.280 nan 0.000 0.515 228 V N 3.433 122.907 119.914 -0.733 0.000 2.384 228 V HA 0.183 4.303 4.120 -0.000 0.000 0.287 228 V C -0.330 175.371 176.094 -0.654 0.000 1.020 228 V CA -0.766 61.155 62.300 -0.632 0.000 0.850 228 V CB 1.150 32.390 31.823 -0.972 0.000 0.987 228 V HN 0.651 nan 8.190 nan 0.000 0.436 229 M N 6.742 126.186 119.600 -0.260 0.000 2.080 229 M HA 0.421 4.901 4.480 -0.000 0.000 0.350 229 M C -0.529 175.787 176.300 0.026 0.000 1.143 229 M CA -0.072 55.178 55.300 -0.083 0.000 1.064 229 M CB 0.284 32.792 32.600 -0.154 0.000 1.429 229 M HN 0.550 nan 8.290 nan 0.000 0.418 230 K N 3.792 124.203 120.400 0.018 0.000 2.164 230 K HA 0.923 5.243 4.320 -0.000 0.000 0.258 230 K C -1.879 174.708 176.600 -0.022 0.000 0.951 230 K CA -0.243 56.063 56.287 0.032 0.000 0.844 230 K CB 1.495 34.066 32.500 0.119 0.000 1.099 230 K HN 0.768 nan 8.250 nan 0.000 0.435 231 A N 1.860 124.598 122.820 -0.137 0.000 2.589 231 A HA 0.622 4.942 4.320 -0.000 0.000 0.296 231 A C -0.885 176.566 177.584 -0.222 0.000 1.062 231 A CA -0.519 51.357 52.037 -0.268 0.000 0.686 231 A CB 1.589 20.031 19.000 -0.930 0.000 1.282 231 A HN 0.657 nan 8.150 nan 0.000 0.404 232 G N 0.497 109.222 108.800 -0.125 0.000 2.368 232 G HA2 0.773 4.733 3.960 -0.000 0.000 0.320 232 G HA3 0.773 4.733 3.960 -0.000 0.000 0.320 232 G C -0.799 174.241 174.900 0.234 0.000 1.158 232 G CA -0.406 44.645 45.100 -0.082 0.000 0.912 232 G HN 1.628 nan 8.290 nan 0.000 0.456 233 F N -0.828 119.354 119.950 0.387 0.000 2.665 233 F HA 0.610 5.137 4.527 -0.000 0.000 0.308 233 F C 0.184 176.258 175.800 0.456 0.000 1.112 233 F CA -1.567 56.656 58.000 0.372 0.000 0.972 233 F CB 1.013 40.178 39.000 0.275 0.000 1.295 233 F HN 0.629 nan 8.300 nan 0.000 0.440 234 E N 1.030 121.550 120.200 0.534 0.000 2.637 234 E HA -0.122 4.228 4.350 -0.000 0.000 0.265 234 E C 1.126 177.815 176.600 0.150 0.000 1.073 234 E CA 1.038 57.659 56.400 0.367 0.000 0.778 234 E CB -1.599 28.395 29.700 0.491 0.000 1.362 234 E HN 1.924 nan 8.360 nan 0.000 0.413 235 G N -0.674 108.106 108.800 -0.033 0.000 2.176 235 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.253 235 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.253 235 G C -0.048 174.446 174.900 -0.676 0.000 0.979 235 G CA 0.826 45.621 45.100 -0.508 0.000 0.641 235 G HN 0.551 nan 8.290 nan 0.000 0.530 236 H N -0.702 118.447 119.070 0.132 0.000 2.949 236 H HA 0.606 5.162 4.556 -0.000 0.000 0.356 236 H C -1.438 173.717 175.328 -0.288 0.000 1.212 236 H CA -0.951 55.013 56.048 -0.140 0.000 1.136 236 H CB 1.431 30.768 29.762 -0.708 0.000 1.869 236 H HN 0.040 nan 8.280 nan 0.000 0.556 237 D N 1.183 121.401 120.400 -0.303 0.000 2.373 237 D HA 0.125 4.764 4.640 -0.000 0.000 0.227 237 D C -0.909 175.045 176.300 -0.577 0.000 1.091 237 D CA -0.234 53.576 54.000 -0.317 0.000 0.840 237 D CB 0.535 41.344 40.800 0.016 0.000 1.060 237 D HN 0.239 nan 8.370 nan 0.000 0.502 238 W N 2.523 123.620 121.300 -0.340 0.000 2.497 238 W HA 0.516 5.176 4.660 -0.000 0.000 0.359 238 W C 0.013 176.394 176.519 -0.230 0.000 1.131 238 W CA -0.931 56.206 57.345 -0.347 0.000 1.280 238 W CB 0.699 29.876 29.460 -0.471 0.000 1.319 238 W HN 0.284 nan 8.180 nan 0.000 0.626 239 Y N -1.463 118.810 120.300 -0.044 0.000 2.638 239 Y HA 0.767 5.316 4.550 -0.000 0.000 0.335 239 Y C -1.122 174.792 175.900 0.023 0.000 1.155 239 Y CA -1.768 56.266 58.100 -0.111 0.000 1.046 239 Y CB 1.680 39.915 38.460 -0.376 0.000 1.303 239 Y HN 0.426 nan 8.280 nan 0.000 0.460 240 T N 3.083 117.837 114.554 0.332 0.000 3.172 240 T HA 0.559 4.909 4.350 -0.000 0.000 0.320 240 T C -1.429 173.527 174.700 0.427 0.000 1.085 240 T CA -0.506 61.775 62.100 0.302 0.000 1.052 240 T CB 0.390 69.435 68.868 0.295 0.000 1.107 240 T HN 0.761 nan 8.240 nan 0.000 0.458 241 I N 4.483 125.261 120.570 0.348 0.000 2.441 241 I HA 0.615 4.785 4.170 -0.000 0.000 0.287 241 I C 1.153 177.438 176.117 0.280 0.000 1.049 241 I CA 0.082 61.557 61.300 0.291 0.000 1.381 241 I CB 1.001 39.128 38.000 0.212 0.000 1.409 241 I HN 0.831 nan 8.210 nan 0.000 0.523 242 G N 3.749 112.779 108.800 0.384 0.000 2.706 242 G HA2 0.499 4.459 3.960 -0.000 0.000 0.307 242 G HA3 0.499 4.459 3.960 -0.000 0.000 0.307 242 G C -1.353 173.719 174.900 0.287 0.000 1.307 242 G CA -0.366 44.813 45.100 0.132 0.000 0.790 242 G HN 0.365 nan 8.290 nan 0.000 0.503 243 T N 0.398 115.022 114.554 0.117 0.000 2.794 243 T HA 0.512 4.862 4.350 -0.000 0.000 0.280 243 T C -1.597 173.342 174.700 0.399 0.000 0.987 243 T CA -0.007 62.243 62.100 0.251 0.000 0.993 243 T CB 1.149 70.090 68.868 0.121 0.000 0.939 243 T HN 0.428 nan 8.240 nan 0.000 0.449 244 Y N 2.453 122.921 120.300 0.280 0.000 2.364 244 Y HA 0.578 5.127 4.550 -0.000 0.000 0.340 244 Y C -0.217 175.755 175.900 0.119 0.000 0.975 244 Y CA -1.315 56.906 58.100 0.202 0.000 1.089 244 Y CB 1.656 40.035 38.460 -0.136 0.000 1.192 244 Y HN 0.530 nan 8.280 nan 0.000 0.454 245 S N 8.838 124.287 115.700 -0.418 0.000 2.577 245 S HA 0.366 4.836 4.470 -0.000 0.000 0.294 245 S C -1.958 172.165 174.600 -0.795 0.000 1.161 245 S CA -1.774 56.148 58.200 -0.463 0.000 1.143 245 S CB 0.850 63.950 63.200 -0.166 0.000 0.991 245 S HN 0.655 nan 8.310 nan 0.000 0.475 246 P HA -0.155 nan 4.420 nan 0.000 0.216 246 P C 0.776 177.920 177.300 -0.260 0.000 1.150 246 P CA 1.291 64.009 63.100 -0.636 0.000 0.837 246 P CB 0.064 31.439 31.700 -0.542 0.000 0.786 247 D N 1.034 121.295 120.400 -0.232 0.000 2.077 247 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 247 D C 2.004 178.276 176.300 -0.048 0.000 0.983 247 D CA 1.000 54.936 54.000 -0.107 0.000 0.841 247 D CB -0.940 39.803 40.800 -0.095 0.000 0.992 247 D HN 0.154 nan 8.370 nan 0.000 0.450 248 R N 0.210 120.677 120.500 -0.055 0.000 2.241 248 R HA -0.070 4.270 4.340 -0.000 0.000 0.224 248 R C 0.196 176.515 176.300 0.032 0.000 1.101 248 R CA 0.641 56.745 56.100 0.006 0.000 0.995 248 R CB -0.323 29.977 30.300 0.000 0.000 0.870 248 R HN 0.151 nan 8.270 nan 0.000 0.463 249 E N 0.807 120.979 120.200 -0.046 0.000 2.246 249 E HA -0.192 4.158 4.350 -0.000 0.000 0.211 249 E C -1.681 174.929 176.600 0.017 0.000 1.278 249 E CA 0.785 57.148 56.400 -0.062 0.000 0.694 249 E CB -1.494 28.061 29.700 -0.241 0.000 1.166 249 E HN 0.665 nan 8.360 nan 0.000 0.370 250 N N 0.062 118.825 118.700 0.104 0.000 2.331 250 N HA 0.564 5.303 4.740 -0.000 0.000 0.280 250 N C -1.437 174.272 175.510 0.331 0.000 1.155 250 N CA -0.989 52.170 53.050 0.181 0.000 0.822 250 N CB 0.870 39.428 38.487 0.119 0.000 1.619 250 N HN 0.053 nan 8.380 nan 0.000 0.476 251 F N 2.055 122.116 119.950 0.186 0.000 2.426 251 F HA 0.591 5.117 4.527 -0.001 0.000 0.348 251 F C -1.618 174.286 175.800 0.174 0.000 1.124 251 F CA -1.284 56.861 58.000 0.242 0.000 1.008 251 F CB 0.937 40.066 39.000 0.215 0.000 1.139 251 F HN 0.389 nan 8.300 nan 0.000 0.452 252 L N 8.723 129.679 121.223 -0.445 0.000 2.301 252 L HA 0.401 4.741 4.340 -0.000 0.000 0.278 252 L C -2.306 174.180 176.870 -0.641 0.000 1.022 252 L CA -2.309 52.281 54.840 -0.417 0.000 0.854 252 L CB 0.621 42.588 42.059 -0.153 0.000 1.226 252 L HN 0.449 nan 8.230 nan 0.000 0.429 253 P HA 0.026 nan 4.420 nan 0.000 0.265 253 P C 0.607 177.815 177.300 -0.155 0.000 1.193 253 P CA -0.006 62.864 63.100 -0.384 0.000 0.765 253 P CB 1.433 33.057 31.700 -0.127 0.000 0.823 254 Q N 2.568 122.333 119.800 -0.059 0.000 2.030 254 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 254 Q C 1.775 177.776 176.000 0.001 0.000 0.986 254 Q CA 1.914 57.714 55.803 -0.006 0.000 0.843 254 Q CB -0.255 28.508 28.738 0.043 0.000 0.904 254 Q HN 0.568 nan 8.270 nan 0.000 0.420 255 N N -0.311 118.399 118.700 0.016 0.000 2.635 255 N HA -0.092 4.648 4.740 -0.000 0.000 0.191 255 N C 0.841 176.355 175.510 0.007 0.000 1.155 255 N CA 1.220 54.281 53.050 0.018 0.000 0.927 255 N CB -0.368 38.136 38.487 0.028 0.000 0.976 255 N HN 0.388 nan 8.380 nan 0.000 0.448 256 G N 0.127 108.921 108.800 -0.010 0.000 2.225 256 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.267 256 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.267 256 G C -0.368 174.532 174.900 -0.001 0.000 1.024 256 G CA 0.613 45.705 45.100 -0.014 0.000 0.784 256 G HN 0.443 nan 8.290 nan 0.000 0.507 257 L N -0.163 121.067 121.223 0.012 0.000 2.386 257 L HA 0.655 4.995 4.340 -0.000 0.000 0.271 257 L C 0.548 177.450 176.870 0.053 0.000 0.993 257 L CA -0.919 53.937 54.840 0.027 0.000 0.819 257 L CB 2.109 44.185 42.059 0.027 0.000 1.294 257 L HN 0.126 nan 8.230 nan 0.000 0.414 258 S N 1.924 117.659 115.700 0.057 0.000 2.580 258 S HA 0.451 4.921 4.470 -0.000 0.000 0.274 258 S C 0.098 174.765 174.600 0.112 0.000 1.329 258 S CA -0.551 57.708 58.200 0.098 0.000 1.036 258 S CB 0.466 63.705 63.200 0.065 0.000 0.919 258 S HN 0.414 nan 8.310 nan 0.000 0.515 259 L N 3.663 125.003 121.223 0.194 0.000 2.506 259 L HA 0.085 4.424 4.340 -0.000 0.000 0.281 259 L C 1.234 178.160 176.870 0.094 0.000 1.228 259 L CA 0.248 55.205 54.840 0.196 0.000 0.850 259 L CB 0.498 42.785 42.059 0.379 0.000 1.110 259 L HN 0.873 nan 8.230 nan 0.000 0.496 260 T N -1.269 113.290 114.554 0.008 0.000 3.115 260 T HA 0.205 4.555 4.350 -0.000 0.000 0.256 260 T C 1.041 175.644 174.700 -0.162 0.000 0.970 260 T CA 0.344 62.402 62.100 -0.070 0.000 1.010 260 T CB 0.735 69.560 68.868 -0.071 0.000 1.151 260 T HN 0.886 nan 8.240 nan 0.000 0.479 261 G N 2.322 110.778 108.800 -0.574 0.000 2.131 261 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.223 261 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.223 261 G C 0.232 174.722 174.900 -0.683 0.000 0.990 261 G CA 0.234 44.515 45.100 -1.366 0.000 0.671 261 G HN 1.025 nan 8.290 nan 0.000 0.521 262 S N -1.074 114.421 115.700 -0.342 0.000 2.730 262 S HA 0.660 5.130 4.470 -0.000 0.000 0.284 262 S C 1.584 176.209 174.600 0.040 0.000 1.153 262 S CA 0.767 58.925 58.200 -0.070 0.000 0.995 262 S CB 1.367 64.547 63.200 -0.032 0.000 1.058 262 S HN 1.364 nan 8.310 nan 0.000 0.552 263 T N -1.051 113.563 114.554 0.100 0.000 3.155 263 T HA 0.027 4.376 4.350 -0.000 0.000 0.264 263 T C 1.109 175.879 174.700 0.117 0.000 1.160 263 T CA 0.449 62.635 62.100 0.142 0.000 1.075 263 T CB -0.574 68.363 68.868 0.115 0.000 0.921 263 T HN 0.363 nan 8.240 nan 0.000 0.533 264 L N 0.924 122.194 121.223 0.077 0.000 2.375 264 L HA 0.364 4.704 4.340 -0.000 0.000 0.215 264 L C 0.793 177.705 176.870 0.071 0.000 1.108 264 L CA 0.659 55.534 54.840 0.058 0.000 0.830 264 L CB -0.268 41.807 42.059 0.028 0.000 0.959 264 L HN 0.307 nan 8.230 nan 0.000 0.457 265 D N -0.629 119.831 120.400 0.099 0.000 2.312 265 D HA 0.316 4.956 4.640 -0.000 0.000 0.248 265 D C 0.032 176.449 176.300 0.196 0.000 1.086 265 D CA -0.340 53.735 54.000 0.125 0.000 0.948 265 D CB 1.757 42.618 40.800 0.101 0.000 1.162 265 D HN -0.079 nan 8.370 nan 0.000 0.446 266 L N 0.962 122.170 121.223 -0.026 0.000 2.399 266 L HA 0.451 4.791 4.340 -0.000 0.000 0.265 266 L C 0.763 177.421 176.870 -0.353 0.000 1.089 266 L CA -0.464 54.238 54.840 -0.229 0.000 0.802 266 L CB 0.866 42.506 42.059 -0.698 0.000 1.180 266 L HN 0.102 nan 8.230 nan 0.000 0.454 267 R N 0.282 120.554 120.500 -0.379 0.000 2.837 267 R HA 0.286 4.626 4.340 -0.000 0.000 0.271 267 R C -0.265 175.810 176.300 -0.375 0.000 0.993 267 R CA -0.781 54.963 56.100 -0.593 0.000 0.931 267 R CB 1.569 31.204 30.300 -1.109 0.000 1.206 267 R HN 0.349 nan 8.270 nan 0.000 0.474 268 Y N 0.103 120.267 120.300 -0.226 0.000 2.114 268 Y HA -0.060 4.489 4.550 -0.001 0.000 0.284 268 Y C 1.068 176.586 175.900 -0.636 0.000 1.119 268 Y CA 1.370 59.324 58.100 -0.243 0.000 1.108 268 Y CB 0.242 38.596 38.460 -0.177 0.000 0.995 268 Y HN 0.456 nan 8.280 nan 0.000 0.491 269 D N -2.373 117.570 120.400 -0.761 0.000 2.350 269 D HA 0.129 4.769 4.640 -0.000 0.000 0.238 269 D C -1.134 174.628 176.300 -0.897 0.000 0.989 269 D CA -0.511 52.943 54.000 -0.909 0.000 0.921 269 D CB 1.513 41.482 40.800 -1.384 0.000 1.297 269 D HN 0.040 nan 8.370 nan 0.000 0.490 270 Y N -0.028 120.059 120.300 -0.356 0.000 2.636 270 Y HA 0.330 4.879 4.550 -0.000 0.000 0.260 270 Y C 1.052 176.730 175.900 -0.369 0.000 1.177 270 Y CA -0.409 57.497 58.100 -0.323 0.000 1.209 270 Y CB 1.401 39.721 38.460 -0.233 0.000 1.166 270 Y HN 0.382 nan 8.280 nan 0.000 0.531 271 G N -1.139 107.404 108.800 -0.429 0.000 3.286 271 G HA2 0.185 4.145 3.960 -0.000 0.000 0.166 271 G HA3 0.185 4.145 3.960 -0.000 0.000 0.166 271 G C -0.648 173.836 174.900 -0.693 0.000 1.155 271 G CA -0.518 43.997 45.100 -0.973 0.000 0.871 271 G HN -0.214 nan 8.290 nan 0.000 0.637 272 Q N 0.434 119.866 119.800 -0.613 0.000 2.325 272 Q HA 0.389 4.729 4.340 -0.000 0.000 0.256 272 Q C -1.774 174.179 176.000 -0.078 0.000 1.142 272 Q CA 0.186 55.802 55.803 -0.312 0.000 0.902 272 Q CB 0.323 28.902 28.738 -0.265 0.000 1.350 272 Q HN 0.291 nan 8.270 nan 0.000 0.449 273 F N 3.776 123.586 119.950 -0.233 0.000 2.839 273 F HA 0.279 4.805 4.527 -0.000 0.000 0.344 273 F C -1.913 173.902 175.800 0.025 0.000 1.242 273 F CA -0.805 57.118 58.000 -0.129 0.000 1.091 273 F CB 0.976 39.885 39.000 -0.152 0.000 1.374 273 F HN 0.350 nan 8.300 nan 0.000 0.553 274 Y N 3.446 123.572 120.300 -0.291 0.000 2.609 274 Y HA 0.597 5.147 4.550 -0.000 0.000 0.342 274 Y C 0.380 176.282 175.900 0.004 0.000 1.058 274 Y CA -0.660 57.374 58.100 -0.109 0.000 1.055 274 Y CB 2.334 40.741 38.460 -0.088 0.000 1.292 274 Y HN 0.804 nan 8.280 nan 0.000 0.476 275 A N 1.427 123.903 122.820 -0.573 0.000 2.799 275 A HA -0.187 4.133 4.320 -0.000 0.000 0.287 275 A C 0.322 177.825 177.584 -0.136 0.000 1.484 275 A CA 0.921 52.790 52.037 -0.280 0.000 0.813 275 A CB -2.541 16.473 19.000 0.025 0.000 1.009 275 A HN 1.331 nan 8.150 nan 0.000 0.545 276 S N -0.780 114.822 115.700 -0.163 0.000 2.552 276 S HA 0.475 4.945 4.470 -0.000 0.000 0.289 276 S C -0.170 174.456 174.600 0.044 0.000 1.304 276 S CA 0.588 58.731 58.200 -0.094 0.000 1.063 276 S CB 1.410 64.585 63.200 -0.041 0.000 0.848 276 S HN 0.960 nan 8.310 nan 0.000 0.499 277 K N 1.322 121.774 120.400 0.087 0.000 2.513 277 K HA 0.432 4.752 4.320 -0.000 0.000 0.251 277 K C -0.665 176.061 176.600 0.210 0.000 0.939 277 K CA -0.471 55.911 56.287 0.158 0.000 0.793 277 K CB 1.847 34.434 32.500 0.145 0.000 1.241 277 K HN 0.893 nan 8.250 nan 0.000 0.431 278 S N 2.380 118.168 115.700 0.147 0.000 2.747 278 S HA 0.845 5.315 4.470 -0.000 0.000 0.300 278 S C -0.490 174.282 174.600 0.286 0.000 1.121 278 S CA -0.659 57.589 58.200 0.080 0.000 0.995 278 S CB 0.728 63.738 63.200 -0.316 0.000 1.113 278 S HN 0.583 nan 8.310 nan 0.000 0.547 279 F N -2.052 117.950 119.950 0.086 0.000 2.719 279 F HA 0.730 5.256 4.527 -0.000 0.000 0.309 279 F C -1.730 174.208 175.800 0.231 0.000 1.138 279 F CA -1.696 56.422 58.000 0.197 0.000 0.943 279 F CB 0.716 39.885 39.000 0.282 0.000 1.304 279 F HN 0.603 nan 8.300 nan 0.000 0.445 280 F N 2.796 122.806 119.950 0.100 0.000 2.404 280 F HA 0.460 4.986 4.527 -0.001 0.000 0.345 280 F C -0.252 175.604 175.800 0.092 0.000 1.110 280 F CA -0.812 57.175 58.000 -0.021 0.000 1.130 280 F CB 0.967 40.024 39.000 0.096 0.000 1.129 280 F HN 0.620 nan 8.300 nan 0.000 0.500 281 D N 5.400 125.426 120.400 -0.624 0.000 2.493 281 D HA 0.089 4.729 4.640 -0.000 0.000 0.235 281 D C 0.767 176.544 176.300 -0.872 0.000 1.117 281 D CA -0.309 53.449 54.000 -0.404 0.000 0.930 281 D CB 0.194 40.916 40.800 -0.131 0.000 1.010 281 D HN 0.677 nan 8.370 nan 0.000 0.514 282 D N 2.056 121.850 120.400 -1.010 0.000 2.310 282 D HA -0.173 4.467 4.640 -0.000 0.000 0.212 282 D C 1.354 177.492 176.300 -0.271 0.000 0.965 282 D CA 0.368 53.917 54.000 -0.751 0.000 0.879 282 D CB 0.102 40.767 40.800 -0.225 0.000 0.921 282 D HN 0.332 nan 8.370 nan 0.000 0.510 283 A N 0.603 123.306 122.820 -0.194 0.000 2.066 283 A HA -0.064 4.255 4.320 -0.000 0.000 0.218 283 A C 1.954 179.502 177.584 -0.060 0.000 1.157 283 A CA 0.771 52.753 52.037 -0.091 0.000 0.670 283 A CB -0.073 18.881 19.000 -0.077 0.000 0.804 283 A HN 0.156 nan 8.150 nan 0.000 0.453 284 K N -0.712 119.638 120.400 -0.083 0.000 2.533 284 K HA 0.104 4.424 4.320 -0.000 0.000 0.202 284 K C -0.731 175.833 176.600 -0.060 0.000 1.096 284 K CA -0.343 55.915 56.287 -0.049 0.000 1.056 284 K CB 0.480 32.970 32.500 -0.017 0.000 0.890 284 K HN 0.352 nan 8.250 nan 0.000 0.552 285 N N 3.023 121.661 118.700 -0.104 0.000 2.650 285 N HA -0.214 4.526 4.740 -0.000 0.000 0.272 285 N C -0.845 174.722 175.510 0.096 0.000 1.058 285 N CA 1.287 54.364 53.050 0.045 0.000 0.765 285 N CB -0.721 37.836 38.487 0.116 0.000 0.902 285 N HN 0.539 nan 8.380 nan 0.000 0.551 286 R N -1.360 119.163 120.500 0.037 0.000 2.716 286 R HA 0.589 4.929 4.340 -0.000 0.000 0.271 286 R C -0.943 175.378 176.300 0.036 0.000 1.028 286 R CA -1.141 54.995 56.100 0.061 0.000 0.883 286 R CB 1.801 32.091 30.300 -0.016 0.000 1.250 286 R HN 0.166 nan 8.270 nan 0.000 0.465 287 R N 1.711 122.218 120.500 0.012 0.000 2.338 287 R HA 0.487 4.827 4.340 -0.000 0.000 0.317 287 R C -1.308 174.820 176.300 -0.287 0.000 0.968 287 R CA -0.620 55.395 56.100 -0.141 0.000 0.849 287 R CB 1.912 32.130 30.300 -0.136 0.000 1.128 287 R HN 0.463 nan 8.270 nan 0.000 0.448 288 V N 5.886 125.456 119.914 -0.573 0.000 2.435 288 V HA 0.360 4.480 4.120 -0.000 0.000 0.290 288 V C -0.619 175.277 176.094 -0.329 0.000 1.030 288 V CA -0.888 61.109 62.300 -0.505 0.000 0.881 288 V CB 1.503 32.938 31.823 -0.647 0.000 0.983 288 V HN 0.622 nan 8.190 nan 0.000 0.445 289 L N 5.200 126.263 121.223 -0.265 0.000 2.296 289 L HA 0.609 4.949 4.340 -0.000 0.000 0.286 289 L C -1.164 175.630 176.870 -0.127 0.000 1.023 289 L CA -0.102 54.635 54.840 -0.171 0.000 0.812 289 L CB 1.203 43.102 42.059 -0.268 0.000 1.223 289 L HN 0.657 nan 8.230 nan 0.000 0.421 290 W N 4.659 125.946 121.300 -0.021 0.000 2.606 290 W HA 0.802 5.462 4.660 -0.000 0.000 0.332 290 W C -0.425 176.004 176.519 -0.150 0.000 1.052 290 W CA -0.539 56.783 57.345 -0.040 0.000 1.223 290 W CB 2.171 31.688 29.460 0.096 0.000 1.383 290 W HN 0.746 nan 8.180 nan 0.000 0.524 291 A N 2.669 125.531 122.820 0.070 0.000 2.547 291 A HA 0.481 4.801 4.320 -0.000 0.000 0.297 291 A C -2.164 175.342 177.584 -0.130 0.000 1.056 291 A CA -0.733 51.092 52.037 -0.354 0.000 0.688 291 A CB 0.551 18.603 19.000 -1.581 0.000 1.282 291 A HN 0.631 nan 8.150 nan 0.000 0.400 292 W N 3.017 124.159 121.300 -0.263 0.000 2.266 292 W HA 0.530 5.190 4.660 -0.001 0.000 0.317 292 W C -1.198 175.232 176.519 -0.148 0.000 1.310 292 W CA -0.406 56.855 57.345 -0.139 0.000 1.207 292 W CB 1.054 30.463 29.460 -0.084 0.000 1.199 292 W HN 0.414 nan 8.180 nan 0.000 0.544 293 V N 9.854 129.609 119.914 -0.264 0.000 2.284 293 V HA 0.233 4.353 4.120 -0.000 0.000 0.274 293 V C -1.891 173.821 176.094 -0.636 0.000 1.023 293 V CA -1.996 60.056 62.300 -0.413 0.000 0.808 293 V CB 0.753 32.495 31.823 -0.135 0.000 1.035 293 V HN 0.450 nan 8.190 nan 0.000 0.445 294 P HA 0.099 nan 4.420 nan 0.000 0.269 294 P C 0.050 177.186 177.300 -0.274 0.000 1.217 294 P CA -0.095 62.499 63.100 -0.842 0.000 0.783 294 P CB 0.615 31.683 31.700 -1.052 0.000 0.898 295 E N 0.418 120.570 120.200 -0.079 0.000 2.390 295 E HA 0.099 4.449 4.350 -0.000 0.000 0.261 295 E C 0.738 177.351 176.600 0.022 0.000 1.076 295 E CA 0.506 56.923 56.400 0.029 0.000 0.905 295 E CB 0.206 29.901 29.700 -0.009 0.000 0.984 295 E HN 0.469 nan 8.360 nan 0.000 0.427 296 T N -2.736 111.908 114.554 0.149 0.000 3.084 296 T HA 0.065 4.415 4.350 -0.000 0.000 0.270 296 T C 0.153 174.802 174.700 -0.084 0.000 1.008 296 T CA -0.540 61.609 62.100 0.082 0.000 0.900 296 T CB 0.037 69.005 68.868 0.168 0.000 1.084 296 T HN 0.360 nan 8.240 nan 0.000 0.538 297 D N 1.993 122.153 120.400 -0.400 0.000 2.507 297 D HA 0.417 5.057 4.640 -0.000 0.000 0.280 297 D C 0.354 176.455 176.300 -0.331 0.000 1.219 297 D CA -0.542 53.090 54.000 -0.615 0.000 1.085 297 D CB 0.457 40.500 40.800 -1.262 0.000 1.134 297 D HN 0.235 nan 8.370 nan 0.000 0.583 298 S N -1.970 113.551 115.700 -0.299 0.000 2.617 298 S HA 0.051 4.521 4.470 -0.000 0.000 0.269 298 S C 1.019 175.528 174.600 -0.151 0.000 1.292 298 S CA -0.464 57.629 58.200 -0.178 0.000 1.010 298 S CB 1.381 64.492 63.200 -0.148 0.000 0.944 298 S HN 0.605 nan 8.310 nan 0.000 0.536 299 Q N 1.115 120.864 119.800 -0.085 0.000 2.167 299 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 299 Q C 2.131 178.092 176.000 -0.066 0.000 0.970 299 Q CA 1.348 57.121 55.803 -0.050 0.000 0.855 299 Q CB -0.652 28.073 28.738 -0.022 0.000 0.911 299 Q HN 0.956 nan 8.270 nan 0.000 0.438 300 A N 1.139 123.913 122.820 -0.077 0.000 1.902 300 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 300 A C 1.664 179.190 177.584 -0.096 0.000 1.181 300 A CA 1.760 53.754 52.037 -0.071 0.000 0.623 300 A CB -0.562 18.398 19.000 -0.066 0.000 0.818 300 A HN 0.435 nan 8.150 nan 0.000 0.443 301 D N 0.333 120.646 120.400 -0.147 0.000 2.104 301 D HA -0.138 4.501 4.640 -0.000 0.000 0.194 301 D C 1.411 177.581 176.300 -0.217 0.000 0.994 301 D CA 1.530 55.408 54.000 -0.203 0.000 0.830 301 D CB -0.442 40.162 40.800 -0.326 0.000 0.959 301 D HN 0.393 nan 8.370 nan 0.000 0.452 302 D N 0.572 120.846 120.400 -0.210 0.000 2.092 302 D HA -0.134 4.506 4.640 -0.000 0.000 0.193 302 D C 2.228 178.457 176.300 -0.118 0.000 0.994 302 D CA 0.471 54.350 54.000 -0.203 0.000 0.828 302 D CB -0.294 40.462 40.800 -0.074 0.000 0.963 302 D HN 0.183 nan 8.370 nan 0.000 0.450 303 I N 0.934 121.470 120.570 -0.057 0.000 2.208 303 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 303 I C 2.389 178.495 176.117 -0.020 0.000 1.097 303 I CA 1.084 62.373 61.300 -0.018 0.000 1.363 303 I CB -1.133 36.858 38.000 -0.015 0.000 1.051 303 I HN 0.032 nan 8.210 nan 0.000 0.413 304 E N 2.400 122.574 120.200 -0.044 0.000 2.021 304 E HA -0.259 4.090 4.350 -0.000 0.000 0.200 304 E C 2.095 178.692 176.600 -0.004 0.000 1.015 304 E CA 2.243 58.628 56.400 -0.026 0.000 0.824 304 E CB -0.361 29.314 29.700 -0.042 0.000 0.762 304 E HN 0.594 nan 8.360 nan 0.000 0.454 305 K N -1.254 119.117 120.400 -0.048 0.000 2.442 305 K HA 0.039 4.359 4.320 -0.000 0.000 0.198 305 K C 1.254 177.920 176.600 0.109 0.000 1.042 305 K CA 0.988 57.282 56.287 0.012 0.000 0.958 305 K CB -0.121 32.322 32.500 -0.096 0.000 0.766 305 K HN 0.305 nan 8.250 nan 0.000 0.474 306 G N 1.045 109.874 108.800 0.049 0.000 2.157 306 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.248 306 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.248 306 G C -0.320 174.747 174.900 0.279 0.000 0.979 306 G CA 0.366 45.562 45.100 0.159 0.000 0.650 306 G HN 0.531 nan 8.290 nan 0.000 0.529 307 W N -1.848 119.492 121.300 0.068 0.000 3.066 307 W HA 0.801 5.461 4.660 -0.000 0.000 0.330 307 W C -0.628 175.950 176.519 0.098 0.000 1.253 307 W CA -1.464 55.926 57.345 0.076 0.000 1.187 307 W CB 0.999 30.473 29.460 0.023 0.000 1.434 307 W HN 1.242 nan 8.180 nan 0.000 0.572 308 A N 1.410 124.405 122.820 0.291 0.000 2.540 308 A HA 0.793 5.113 4.320 -0.000 0.000 0.297 308 A C -0.180 177.490 177.584 0.143 0.000 1.056 308 A CA 0.037 52.144 52.037 0.116 0.000 0.700 308 A CB 0.788 19.921 19.000 0.220 0.000 1.280 308 A HN 2.498 nan 8.150 nan 0.000 0.398 309 G N -0.180 108.727 108.800 0.179 0.000 2.907 309 G HA2 0.383 4.343 3.960 -0.000 0.000 0.686 309 G HA3 0.383 4.343 3.960 -0.000 0.000 0.686 309 G C -1.174 173.887 174.900 0.268 0.000 1.115 309 G CA -0.297 44.954 45.100 0.251 0.000 0.760 309 G HN 1.385 nan 8.290 nan 0.000 0.620 310 L N 1.325 122.704 121.223 0.260 0.000 2.403 310 L HA 0.687 5.027 4.340 -0.000 0.000 0.253 310 L C -0.456 176.544 176.870 0.217 0.000 1.045 310 L CA -1.251 53.681 54.840 0.155 0.000 0.845 310 L CB 2.259 44.370 42.059 0.087 0.000 1.447 310 L HN 0.548 nan 8.230 nan 0.000 0.411 311 Q N 1.037 120.962 119.800 0.208 0.000 2.333 311 Q HA 0.356 4.696 4.340 -0.000 0.000 0.267 311 Q C -0.619 175.580 176.000 0.332 0.000 1.012 311 Q CA -0.464 55.499 55.803 0.267 0.000 0.824 311 Q CB 2.219 31.100 28.738 0.238 0.000 1.290 311 Q HN 0.727 nan 8.270 nan 0.000 0.449 312 S N 1.579 117.439 115.700 0.267 0.000 2.566 312 S HA 0.201 4.670 4.470 -0.000 0.000 0.280 312 S C 0.158 174.917 174.600 0.266 0.000 1.343 312 S CA -0.526 57.876 58.200 0.336 0.000 1.036 312 S CB 0.300 63.688 63.200 0.313 0.000 0.866 312 S HN 0.452 nan 8.310 nan 0.000 0.526 313 F N 3.137 123.147 119.950 0.098 0.000 2.578 313 F HA 0.310 4.837 4.527 -0.001 0.000 0.376 313 F C -2.152 173.493 175.800 -0.258 0.000 1.085 313 F CA -1.775 56.123 58.000 -0.170 0.000 1.260 313 F CB -0.105 38.764 39.000 -0.219 0.000 1.095 313 F HN 0.415 nan 8.300 nan 0.000 0.573 314 P HA -0.025 nan 4.420 nan 0.000 0.260 314 P C -1.284 175.716 177.300 -0.499 0.000 1.172 314 P CA 0.521 62.976 63.100 -1.075 0.000 0.760 314 P CB 0.199 31.062 31.700 -1.395 0.000 0.773 315 R N 2.483 122.802 120.500 -0.303 0.000 2.670 315 R HA 0.818 5.157 4.340 -0.000 0.000 0.289 315 R C -0.640 175.591 176.300 -0.114 0.000 0.965 315 R CA -1.266 54.762 56.100 -0.121 0.000 0.899 315 R CB 1.486 31.803 30.300 0.027 0.000 1.173 315 R HN 0.300 nan 8.270 nan 0.000 0.456 316 A N 2.580 125.401 122.820 0.002 0.000 2.407 316 A HA 0.423 4.742 4.320 -0.000 0.000 0.248 316 A C -0.564 177.073 177.584 0.090 0.000 1.082 316 A CA -0.399 51.705 52.037 0.112 0.000 0.785 316 A CB 0.438 19.646 19.000 0.346 0.000 1.020 316 A HN 0.617 nan 8.150 nan 0.000 0.489 317 L N 1.793 123.092 121.223 0.126 0.000 2.431 317 L HA 0.899 5.239 4.340 -0.000 0.000 0.266 317 L C -1.237 175.774 176.870 0.234 0.000 0.978 317 L CA -0.199 54.638 54.840 -0.004 0.000 0.822 317 L CB 1.674 43.685 42.059 -0.080 0.000 1.310 317 L HN 0.996 nan 8.230 nan 0.000 0.409 318 W N 3.753 125.075 121.300 0.037 0.000 3.059 318 W HA 0.563 5.224 4.660 0.001 0.000 0.329 318 W C -1.871 174.677 176.519 0.049 0.000 1.246 318 W CA -1.151 56.214 57.345 0.033 0.000 1.190 318 W CB 0.161 29.630 29.460 0.016 0.000 1.423 318 W HN 0.690 nan 8.180 nan 0.000 0.571 319 I N 2.847 123.573 120.570 0.259 0.000 2.638 319 I HA 0.100 4.270 4.170 -0.000 0.000 0.286 319 I C 0.521 176.779 176.117 0.236 0.000 1.088 319 I CA 0.141 61.539 61.300 0.163 0.000 1.397 319 I CB 0.561 38.645 38.000 0.139 0.000 1.414 319 I HN 0.575 nan 8.210 nan 0.000 0.566 320 D N 5.279 125.767 120.400 0.146 0.000 2.368 320 D HA -0.021 4.619 4.640 -0.000 0.000 0.240 320 D C 1.334 177.731 176.300 0.163 0.000 1.169 320 D CA -0.194 53.904 54.000 0.163 0.000 0.906 320 D CB 0.842 41.711 40.800 0.114 0.000 1.187 320 D HN 0.450 nan 8.370 nan 0.000 0.435 321 R N 2.337 122.927 120.500 0.150 0.000 2.159 321 R HA -0.208 4.132 4.340 -0.000 0.000 0.237 321 R C 0.681 177.032 176.300 0.086 0.000 1.131 321 R CA 1.630 57.794 56.100 0.107 0.000 0.982 321 R CB -1.216 29.133 30.300 0.081 0.000 0.868 321 R HN 0.564 nan 8.270 nan 0.000 0.453 322 N N -0.249 118.503 118.700 0.086 0.000 2.336 322 N HA 0.077 4.817 4.740 -0.000 0.000 0.189 322 N C 1.027 176.584 175.510 0.078 0.000 1.113 322 N CA 0.632 53.726 53.050 0.073 0.000 0.858 322 N CB 0.121 38.649 38.487 0.068 0.000 0.970 322 N HN 0.403 nan 8.380 nan 0.000 0.471 323 G N 0.120 108.975 108.800 0.092 0.000 2.187 323 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.261 323 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.261 323 G C 0.798 175.758 174.900 0.099 0.000 1.000 323 G CA 1.039 46.196 45.100 0.095 0.000 0.718 323 G HN 0.525 nan 8.290 nan 0.000 0.519 324 K N -0.564 119.896 120.400 0.101 0.000 2.334 324 K HA 0.227 4.547 4.320 -0.000 0.000 0.195 324 K C 1.289 177.968 176.600 0.133 0.000 1.045 324 K CA 1.218 57.566 56.287 0.102 0.000 1.004 324 K CB 0.286 32.835 32.500 0.082 0.000 0.837 324 K HN 0.800 nan 8.250 nan 0.000 0.510 325 Q N -0.516 119.374 119.800 0.151 0.000 2.565 325 Q HA 0.435 4.775 4.340 -0.000 0.000 0.294 325 Q C -1.313 174.796 176.000 0.181 0.000 1.005 325 Q CA -1.110 54.821 55.803 0.214 0.000 0.771 325 Q CB 0.975 29.825 28.738 0.187 0.000 1.486 325 Q HN -0.215 nan 8.270 nan 0.000 0.422 326 L N 1.149 122.499 121.223 0.213 0.000 2.360 326 L HA 0.509 4.849 4.340 -0.000 0.000 0.271 326 L C -0.695 176.131 176.870 -0.073 0.000 1.057 326 L CA -0.693 54.154 54.840 0.011 0.000 0.803 326 L CB 1.538 43.507 42.059 -0.151 0.000 1.207 326 L HN 0.641 nan 8.230 nan 0.000 0.445 327 I N 2.090 122.450 120.570 -0.350 0.000 2.474 327 I HA 0.450 4.620 4.170 -0.000 0.000 0.294 327 I C -0.300 175.365 176.117 -0.753 0.000 1.005 327 I CA -0.614 60.358 61.300 -0.548 0.000 1.113 327 I CB 1.737 39.221 38.000 -0.859 0.000 1.289 327 I HN 0.604 nan 8.210 nan 0.000 0.436 328 Q N 5.039 124.627 119.800 -0.353 0.000 2.394 328 Q HA 0.563 4.903 4.340 -0.000 0.000 0.273 328 Q C -1.465 174.574 176.000 0.066 0.000 1.089 328 Q CA -0.697 54.989 55.803 -0.195 0.000 0.812 328 Q CB 3.398 32.151 28.738 0.026 0.000 1.353 328 Q HN 0.642 nan 8.270 nan 0.000 0.438 329 W N 2.178 123.334 121.300 -0.239 0.000 3.425 329 W HA 0.325 4.985 4.660 0.000 0.000 0.318 329 W C -3.003 173.371 176.519 -0.241 0.000 1.201 329 W CA -1.936 55.224 57.345 -0.310 0.000 1.212 329 W CB 1.889 31.343 29.460 -0.011 0.000 1.355 329 W HN 0.434 nan 8.180 nan 0.000 0.515 330 P HA -0.076 nan 4.420 nan 0.000 0.264 330 P C 0.108 177.345 177.300 -0.104 0.000 1.183 330 P CA 0.279 63.189 63.100 -0.317 0.000 0.763 330 P CB 0.458 31.860 31.700 -0.498 0.000 0.807 331 V N 1.822 121.743 119.914 0.011 0.000 2.814 331 V HA -0.083 4.037 4.120 -0.000 0.000 0.307 331 V C 1.631 177.734 176.094 0.016 0.000 1.089 331 V CA 0.204 62.500 62.300 -0.006 0.000 1.212 331 V CB -0.196 31.548 31.823 -0.132 0.000 0.912 331 V HN 0.770 nan 8.190 nan 0.000 0.497 332 E N 1.611 121.812 120.200 0.001 0.000 2.171 332 E HA -0.312 4.038 4.350 -0.000 0.000 0.197 332 E C 1.492 178.050 176.600 -0.069 0.000 0.997 332 E CA 1.848 58.230 56.400 -0.030 0.000 0.810 332 E CB -0.262 29.424 29.700 -0.024 0.000 0.738 332 E HN 0.878 nan 8.360 nan 0.000 0.467 333 E N 0.972 121.140 120.200 -0.052 0.000 2.219 333 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 333 E C 1.905 178.464 176.600 -0.068 0.000 0.998 333 E CA 1.109 57.471 56.400 -0.064 0.000 0.818 333 E CB -0.310 29.344 29.700 -0.076 0.000 0.741 333 E HN 0.467 nan 8.360 nan 0.000 0.477 334 I N 0.889 121.431 120.570 -0.047 0.000 2.335 334 I HA -0.314 3.855 4.170 -0.000 0.000 0.251 334 I C 1.556 177.459 176.117 -0.356 0.000 1.129 334 I CA 1.396 62.545 61.300 -0.251 0.000 1.402 334 I CB 0.041 37.689 38.000 -0.587 0.000 1.069 334 I HN 0.117 nan 8.210 nan 0.000 0.424 335 E N 0.416 120.429 120.200 -0.312 0.000 2.267 335 E HA -0.229 4.121 4.350 -0.000 0.000 0.197 335 E C 1.762 178.177 176.600 -0.308 0.000 0.998 335 E CA 0.770 56.947 56.400 -0.371 0.000 0.830 335 E CB -0.023 29.483 29.700 -0.322 0.000 0.751 335 E HN 0.494 nan 8.360 nan 0.000 0.491 336 E N 0.298 120.364 120.200 -0.224 0.000 2.265 336 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 336 E C 1.823 178.315 176.600 -0.179 0.000 0.996 336 E CA 0.678 56.974 56.400 -0.173 0.000 0.832 336 E CB 0.006 29.628 29.700 -0.130 0.000 0.756 336 E HN 0.395 nan 8.360 nan 0.000 0.491 337 L N 0.191 121.274 121.223 -0.234 0.000 2.554 337 L HA 0.058 4.398 4.340 -0.000 0.000 0.226 337 L C 0.958 177.698 176.870 -0.216 0.000 1.137 337 L CA 0.025 54.731 54.840 -0.223 0.000 0.863 337 L CB -0.003 41.868 42.059 -0.314 0.000 0.985 337 L HN -0.176 nan 8.230 nan 0.000 0.451 338 R N 0.486 120.826 120.500 -0.267 0.000 2.537 338 R HA 0.049 4.388 4.340 -0.000 0.000 0.280 338 R C 0.376 176.632 176.300 -0.073 0.000 1.058 338 R CA -0.091 55.872 56.100 -0.228 0.000 1.057 338 R CB 0.755 30.739 30.300 -0.528 0.000 0.973 338 R HN 0.134 nan 8.270 nan 0.000 0.438 339 Q N 1.651 121.478 119.800 0.044 0.000 3.062 339 Q HA 0.113 4.453 4.340 -0.000 0.000 0.229 339 Q C 0.225 176.309 176.000 0.139 0.000 1.163 339 Q CA -0.037 55.804 55.803 0.064 0.000 0.322 339 Q CB -0.436 28.330 28.738 0.047 0.000 5.731 339 Q HN 0.652 nan 8.270 nan 0.000 0.328 340 N N 1.044 119.813 118.700 0.114 0.000 2.445 340 N HA 0.058 4.798 4.740 -0.000 0.000 0.264 340 N C -0.551 175.018 175.510 0.100 0.000 1.227 340 N CA -0.056 53.050 53.050 0.095 0.000 0.963 340 N CB 1.760 40.269 38.487 0.037 0.000 1.188 340 N HN 0.263 nan 8.380 nan 0.000 0.491 341 Q N 0.370 120.163 119.800 -0.013 0.000 2.394 341 Q HA 0.505 4.845 4.340 -0.000 0.000 0.273 341 Q C -1.736 174.122 176.000 -0.237 0.000 1.089 341 Q CA -0.897 54.741 55.803 -0.275 0.000 0.812 341 Q CB 2.022 30.502 28.738 -0.431 0.000 1.353 341 Q HN 0.496 nan 8.270 nan 0.000 0.438 342 V N 3.023 122.751 119.914 -0.310 0.000 2.604 342 V HA 0.497 4.617 4.120 -0.000 0.000 0.305 342 V C -0.825 175.111 176.094 -0.262 0.000 1.043 342 V CA -0.773 61.403 62.300 -0.206 0.000 0.888 342 V CB 1.929 33.666 31.823 -0.143 0.000 0.995 342 V HN 0.797 nan 8.190 nan 0.000 0.429 343 N N 2.984 121.574 118.700 -0.184 0.000 2.225 343 N HA 0.749 5.489 4.740 -0.000 0.000 0.298 343 N C -1.627 173.815 175.510 -0.113 0.000 1.076 343 N CA -0.474 52.468 53.050 -0.179 0.000 0.792 343 N CB 1.847 40.234 38.487 -0.167 0.000 1.498 343 N HN 0.608 nan 8.380 nan 0.000 0.474 344 L N 1.773 122.931 121.223 -0.107 0.000 2.381 344 L HA 0.567 4.907 4.340 -0.000 0.000 0.268 344 L C -0.716 176.110 176.870 -0.073 0.000 0.997 344 L CA -0.633 54.163 54.840 -0.073 0.000 0.818 344 L CB 2.184 44.206 42.059 -0.061 0.000 1.310 344 L HN 0.435 nan 8.230 nan 0.000 0.416 345 Q N 1.714 121.481 119.800 -0.055 0.000 2.309 345 Q HA 0.225 4.565 4.340 -0.000 0.000 0.273 345 Q C -0.659 175.317 176.000 -0.040 0.000 1.040 345 Q CA -0.796 54.976 55.803 -0.052 0.000 0.834 345 Q CB 2.209 30.919 28.738 -0.047 0.000 1.345 345 Q HN 0.616 nan 8.270 nan 0.000 0.414 346 N N 1.751 120.425 118.700 -0.042 0.000 2.725 346 N HA -0.181 4.559 4.740 -0.000 0.000 0.251 346 N C -1.485 174.012 175.510 -0.023 0.000 1.031 346 N CA 0.742 53.773 53.050 -0.032 0.000 0.720 346 N CB -0.058 38.413 38.487 -0.027 0.000 0.930 346 N HN 0.274 nan 8.380 nan 0.000 0.543 347 K N 1.166 121.553 120.400 -0.022 0.000 2.235 347 K HA 0.294 4.614 4.320 -0.000 0.000 0.266 347 K C -0.789 175.815 176.600 0.006 0.000 0.980 347 K CA -0.532 55.752 56.287 -0.005 0.000 0.849 347 K CB 0.708 33.209 32.500 0.001 0.000 1.098 347 K HN 0.349 nan 8.250 nan 0.000 0.445 348 N N 4.889 123.594 118.700 0.009 0.000 2.434 348 N HA 0.203 4.943 4.740 -0.000 0.000 0.272 348 N C -0.880 174.645 175.510 0.025 0.000 1.040 348 N CA -0.285 52.770 53.050 0.009 0.000 0.956 348 N CB 0.684 39.169 38.487 -0.004 0.000 1.108 348 N HN 0.478 nan 8.380 nan 0.000 0.481 349 L N 4.723 125.965 121.223 0.032 0.000 2.270 349 L HA 0.250 4.590 4.340 -0.000 0.000 0.286 349 L C 0.841 177.716 176.870 0.008 0.000 1.059 349 L CA -0.764 54.102 54.840 0.043 0.000 0.839 349 L CB 0.571 42.673 42.059 0.072 0.000 1.221 349 L HN 0.410 nan 8.230 nan 0.000 0.431 350 K N 3.235 123.644 120.400 0.014 0.000 2.219 350 K HA 0.432 4.752 4.320 -0.000 0.000 0.258 350 K C -2.579 174.022 176.600 0.002 0.000 1.008 350 K CA -1.836 54.452 56.287 0.001 0.000 0.928 350 K CB -0.077 32.427 32.500 0.006 0.000 0.983 350 K HN 0.100 nan 8.250 nan 0.000 0.484 351 P HA -0.082 nan 4.420 nan 0.000 0.266 351 P C 0.439 177.746 177.300 0.012 0.000 1.193 351 P CA 1.273 64.371 63.100 -0.004 0.000 0.770 351 P CB 0.327 32.022 31.700 -0.009 0.000 0.836 352 G N 1.085 109.898 108.800 0.022 0.000 2.166 352 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 352 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 352 G C 0.407 175.334 174.900 0.045 0.000 0.986 352 G CA 0.269 45.387 45.100 0.030 0.000 0.683 352 G HN 0.567 nan 8.290 nan 0.000 0.527 353 S N -1.584 114.156 115.700 0.066 0.000 2.645 353 S HA 0.701 5.171 4.470 -0.000 0.000 0.266 353 S C 0.110 174.791 174.600 0.134 0.000 1.258 353 S CA -0.067 58.181 58.200 0.081 0.000 0.990 353 S CB 2.319 65.567 63.200 0.080 0.000 0.967 353 S HN 0.885 nan 8.310 nan 0.000 0.556 354 V N 2.232 122.214 119.914 0.114 0.000 2.663 354 V HA 0.299 4.418 4.120 -0.000 0.000 0.286 354 V C -1.326 174.872 176.094 0.175 0.000 1.085 354 V CA -0.506 61.868 62.300 0.124 0.000 0.916 354 V CB 1.423 33.192 31.823 -0.090 0.000 1.039 354 V HN 0.665 nan 8.190 nan 0.000 0.453 355 L N 3.847 125.231 121.223 0.269 0.000 2.296 355 L HA 0.666 5.006 4.340 -0.000 0.000 0.286 355 L C 0.025 177.096 176.870 0.336 0.000 1.023 355 L CA 0.217 55.211 54.840 0.257 0.000 0.812 355 L CB 1.661 43.829 42.059 0.182 0.000 1.223 355 L HN 0.760 nan 8.230 nan 0.000 0.421 356 E N 4.860 125.210 120.200 0.250 0.000 2.200 356 E HA 0.265 4.615 4.350 -0.000 0.000 0.283 356 E C -0.844 175.574 176.600 -0.305 0.000 1.015 356 E CA -0.821 55.511 56.400 -0.114 0.000 0.819 356 E CB 0.833 30.355 29.700 -0.297 0.000 1.081 356 E HN 0.518 nan 8.360 nan 0.000 0.397 357 I N 5.582 125.944 120.570 -0.347 0.000 2.396 357 I HA 0.100 4.270 4.170 -0.000 0.000 0.289 357 I C 0.466 176.361 176.117 -0.371 0.000 1.056 357 I CA -0.046 61.109 61.300 -0.241 0.000 1.365 357 I CB 0.006 37.911 38.000 -0.159 0.000 1.407 357 I HN 0.526 nan 8.210 nan 0.000 0.509 358 H N 3.619 122.634 119.070 -0.091 0.000 2.525 358 H HA 0.341 4.896 4.556 -0.000 0.000 0.340 358 H C 0.960 176.237 175.328 -0.085 0.000 1.168 358 H CA 0.202 56.197 56.048 -0.088 0.000 1.247 358 H CB 1.849 31.578 29.762 -0.055 0.000 1.568 358 H HN 0.827 nan 8.280 nan 0.000 0.536 359 G N 1.911 110.744 108.800 0.056 0.000 2.246 359 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.273 359 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.273 359 G C -0.257 174.627 174.900 -0.028 0.000 1.055 359 G CA -0.031 45.073 45.100 0.006 0.000 0.851 359 G HN 0.336 nan 8.290 nan 0.000 0.500 360 I N -0.392 120.145 120.570 -0.056 0.000 2.828 360 I HA 0.640 4.810 4.170 -0.000 0.000 0.302 360 I C 0.718 176.802 176.117 -0.054 0.000 1.101 360 I CA -1.038 60.232 61.300 -0.050 0.000 1.031 360 I CB 1.879 39.840 38.000 -0.066 0.000 1.231 360 I HN 0.332 nan 8.210 nan 0.000 0.427 361 A N 4.020 126.829 122.820 -0.018 0.000 3.026 361 A HA 0.432 4.752 4.320 -0.000 0.000 0.272 361 A C 1.495 179.060 177.584 -0.031 0.000 1.782 361 A CA 0.344 52.373 52.037 -0.014 0.000 1.451 361 A CB -0.650 18.368 19.000 0.031 0.000 1.081 361 A HN 0.915 nan 8.150 nan 0.000 0.611 362 A N 1.116 123.891 122.820 -0.075 0.000 2.117 362 A HA -0.206 4.114 4.320 -0.000 0.000 0.224 362 A C 2.216 179.767 177.584 -0.055 0.000 1.167 362 A CA 2.378 54.370 52.037 -0.075 0.000 0.664 362 A CB -0.494 18.427 19.000 -0.131 0.000 0.811 362 A HN 1.289 nan 8.150 nan 0.000 0.470 363 S N -2.641 112.994 115.700 -0.109 0.000 2.535 363 S HA 0.266 4.736 4.470 -0.000 0.000 0.214 363 S C 0.608 175.025 174.600 -0.305 0.000 0.980 363 S CA 0.265 58.308 58.200 -0.262 0.000 0.907 363 S CB 0.206 63.138 63.200 -0.447 0.000 0.790 363 S HN 0.615 nan 8.310 nan 0.000 0.510 364 Q N 0.447 120.210 119.800 -0.063 0.000 3.412 364 Q HA 0.675 5.015 4.340 -0.000 0.000 0.219 364 Q C -1.197 174.916 176.000 0.188 0.000 0.913 364 Q CA -0.263 55.637 55.803 0.161 0.000 0.722 364 Q CB 1.062 29.959 28.738 0.266 0.000 1.385 364 Q HN 0.489 nan 8.270 nan 0.000 0.461 365 A N 1.730 124.662 122.820 0.186 0.000 2.583 365 A HA 0.712 5.032 4.320 -0.000 0.000 0.289 365 A C -1.801 175.867 177.584 0.140 0.000 1.151 365 A CA -0.634 51.482 52.037 0.133 0.000 0.695 365 A CB 1.974 21.026 19.000 0.087 0.000 1.290 365 A HN 0.476 nan 8.150 nan 0.000 0.419 366 D N 0.330 120.815 120.400 0.141 0.000 2.469 366 D HA 0.524 5.164 4.640 -0.000 0.000 0.251 366 D C -1.424 175.042 176.300 0.277 0.000 1.173 366 D CA 0.006 54.096 54.000 0.150 0.000 0.882 366 D CB 1.388 42.208 40.800 0.033 0.000 1.129 366 D HN 0.281 nan 8.370 nan 0.000 0.549 367 V N 3.359 123.388 119.914 0.192 0.000 2.459 367 V HA 0.608 4.728 4.120 -0.000 0.000 0.295 367 V C 0.126 176.326 176.094 0.178 0.000 1.029 367 V CA -0.593 61.801 62.300 0.156 0.000 0.874 367 V CB 1.882 33.768 31.823 0.105 0.000 0.985 367 V HN 0.620 nan 8.190 nan 0.000 0.438 368 T N 5.944 120.591 114.554 0.156 0.000 2.848 368 T HA 0.746 5.096 4.350 -0.000 0.000 0.285 368 T C -0.583 174.158 174.700 0.068 0.000 0.995 368 T CA -0.277 61.929 62.100 0.176 0.000 0.970 368 T CB 1.840 70.859 68.868 0.251 0.000 0.976 368 T HN 0.571 nan 8.240 nan 0.000 0.441 369 I N 1.305 121.913 120.570 0.063 0.000 2.769 369 I HA 0.715 4.885 4.170 -0.000 0.000 0.298 369 I C -1.133 174.892 176.117 -0.153 0.000 1.128 369 I CA -0.510 60.721 61.300 -0.114 0.000 1.031 369 I CB 2.171 40.060 38.000 -0.184 0.000 1.235 369 I HN 0.638 nan 8.210 nan 0.000 0.423 370 S N 5.574 121.076 115.700 -0.330 0.000 2.733 370 S HA 0.609 5.079 4.470 -0.000 0.000 0.294 370 S C -1.221 173.164 174.600 -0.358 0.000 1.149 370 S CA -0.405 57.667 58.200 -0.214 0.000 1.034 370 S CB 0.515 63.668 63.200 -0.077 0.000 1.015 370 S HN 0.368 nan 8.310 nan 0.000 0.486 371 F N 3.004 122.970 119.950 0.028 0.000 2.397 371 F HA 0.522 5.048 4.527 -0.000 0.000 0.331 371 F C 0.779 176.509 175.800 -0.117 0.000 1.090 371 F CA -0.657 57.305 58.000 -0.062 0.000 1.065 371 F CB 1.111 40.047 39.000 -0.107 0.000 1.184 371 F HN 0.310 nan 8.300 nan 0.000 0.499 372 K N 3.833 124.256 120.400 0.038 0.000 2.367 372 K HA 0.466 4.786 4.320 -0.000 0.000 0.263 372 K C -0.995 175.547 176.600 -0.097 0.000 1.000 372 K CA -0.429 55.837 56.287 -0.035 0.000 0.891 372 K CB 0.730 33.206 32.500 -0.040 0.000 1.117 372 K HN 0.596 nan 8.250 nan 0.000 0.443 373 L N 2.784 123.925 121.223 -0.136 0.000 2.397 373 L HA 0.242 4.582 4.340 -0.000 0.000 0.271 373 L C 0.438 177.218 176.870 -0.150 0.000 1.148 373 L CA 0.045 54.765 54.840 -0.200 0.000 0.825 373 L CB 0.729 42.665 42.059 -0.206 0.000 1.117 373 L HN 0.607 nan 8.230 nan 0.000 0.456 374 E N 2.019 122.127 120.200 -0.153 0.000 2.191 374 E HA 0.363 4.712 4.350 -0.000 0.000 0.263 374 E C -0.004 176.541 176.600 -0.092 0.000 0.881 374 E CA -0.293 56.044 56.400 -0.105 0.000 0.757 374 E CB 1.582 31.228 29.700 -0.089 0.000 1.147 374 E HN 0.781 nan 8.360 nan 0.000 0.414 375 G N 5.209 113.966 108.800 -0.071 0.000 2.368 375 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.290 375 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.290 375 G C 0.646 175.516 174.900 -0.050 0.000 1.098 375 G CA 0.305 45.376 45.100 -0.047 0.000 1.073 375 G HN 0.651 nan 8.290 nan 0.000 0.511 376 L N -0.277 120.893 121.223 -0.088 0.000 2.127 376 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 376 L C 2.934 179.834 176.870 0.051 0.000 1.089 376 L CA 2.147 56.904 54.840 -0.140 0.000 0.757 376 L CB -0.289 41.536 42.059 -0.390 0.000 0.899 376 L HN 0.620 nan 8.230 nan 0.000 0.434 377 K N 0.742 121.190 120.400 0.081 0.000 2.059 377 K HA -0.269 4.051 4.320 -0.000 0.000 0.212 377 K C 1.589 178.257 176.600 0.112 0.000 1.050 377 K CA 1.963 58.325 56.287 0.124 0.000 0.927 377 K CB -0.012 32.531 32.500 0.072 0.000 0.714 377 K HN 0.137 nan 8.250 nan 0.000 0.447 378 E N 0.544 120.786 120.200 0.069 0.000 2.516 378 E HA 0.088 4.437 4.350 -0.000 0.000 0.199 378 E C -0.186 176.465 176.600 0.084 0.000 1.069 378 E CA 0.470 56.907 56.400 0.062 0.000 0.876 378 E CB -0.010 29.709 29.700 0.031 0.000 0.843 378 E HN 0.432 nan 8.360 nan 0.000 0.530 379 A N 1.195 124.090 122.820 0.124 0.000 2.565 379 A HA -0.048 4.272 4.320 -0.000 0.000 0.237 379 A C 0.140 177.831 177.584 0.178 0.000 1.053 379 A CA -0.008 52.121 52.037 0.153 0.000 0.755 379 A CB -0.010 19.151 19.000 0.268 0.000 0.980 379 A HN 0.136 nan 8.150 nan 0.000 0.506 380 E N 0.705 121.023 120.200 0.196 0.000 2.437 380 E HA 0.239 4.589 4.350 -0.000 0.000 0.263 380 E C -0.473 176.301 176.600 0.291 0.000 1.030 380 E CA 0.110 56.661 56.400 0.252 0.000 0.934 380 E CB 0.531 30.448 29.700 0.362 0.000 0.943 380 E HN 0.403 nan 8.360 nan 0.000 0.444 381 V N 4.544 124.565 119.914 0.179 0.000 2.385 381 V HA 0.315 4.435 4.120 -0.000 0.000 0.269 381 V C -0.478 175.654 176.094 0.063 0.000 1.043 381 V CA -0.445 61.925 62.300 0.116 0.000 0.906 381 V CB 0.349 32.207 31.823 0.058 0.000 0.995 381 V HN 0.379 nan 8.190 nan 0.000 0.467 382 L N 4.419 125.658 121.223 0.025 0.000 2.639 382 L HA 0.500 4.840 4.340 -0.000 0.000 0.264 382 L C -0.897 175.900 176.870 -0.123 0.000 0.948 382 L CA -0.169 54.595 54.840 -0.127 0.000 0.912 382 L CB 1.986 43.787 42.059 -0.431 0.000 1.294 382 L HN 0.676 nan 8.230 nan 0.000 0.412 383 D N 2.859 123.193 120.400 -0.110 0.000 2.325 383 D HA 0.163 4.802 4.640 -0.000 0.000 0.251 383 D C 0.359 176.568 176.300 -0.152 0.000 1.196 383 D CA 0.326 54.260 54.000 -0.109 0.000 0.866 383 D CB 1.557 42.308 40.800 -0.082 0.000 1.101 383 D HN 0.751 nan 8.370 nan 0.000 0.476 384 T N 0.238 114.664 114.554 -0.213 0.000 3.244 384 T HA -0.023 4.327 4.350 -0.000 0.000 0.254 384 T C 1.592 176.124 174.700 -0.280 0.000 1.024 384 T CA -0.122 61.794 62.100 -0.306 0.000 0.920 384 T CB 0.261 68.721 68.868 -0.680 0.000 1.042 384 T HN 0.340 nan 8.240 nan 0.000 0.572 385 T N 1.665 116.115 114.554 -0.173 0.000 2.665 385 T HA -0.014 4.336 4.350 -0.000 0.000 0.268 385 T C 1.231 175.886 174.700 -0.075 0.000 1.035 385 T CA 1.275 63.303 62.100 -0.121 0.000 1.151 385 T CB -0.337 68.483 68.868 -0.080 0.000 0.862 385 T HN 0.555 nan 8.240 nan 0.000 0.438 386 L N 0.971 122.166 121.223 -0.047 0.000 2.808 386 L HA 0.369 4.709 4.340 -0.000 0.000 0.246 386 L C -0.053 176.833 176.870 0.025 0.000 1.153 386 L CA -0.448 54.388 54.840 -0.007 0.000 0.956 386 L CB 0.973 43.029 42.059 -0.006 0.000 1.270 386 L HN 0.041 nan 8.230 nan 0.000 0.528 387 V N 0.504 120.440 119.914 0.037 0.000 2.715 387 V HA -0.021 4.099 4.120 -0.000 0.000 0.299 387 V C 0.025 176.234 176.094 0.192 0.000 1.054 387 V CA -0.140 62.225 62.300 0.107 0.000 1.077 387 V CB 1.314 33.224 31.823 0.144 0.000 0.972 387 V HN 0.163 nan 8.190 nan 0.000 0.484 388 D N 6.470 126.943 120.400 0.123 0.000 2.396 388 D HA 0.283 4.923 4.640 -0.000 0.000 0.225 388 D C -1.006 175.304 176.300 0.017 0.000 1.121 388 D CA -2.168 51.885 54.000 0.089 0.000 0.853 388 D CB 1.679 42.515 40.800 0.060 0.000 1.043 388 D HN 0.225 nan 8.370 nan 0.000 0.500 389 P HA -0.258 nan 4.420 nan 0.000 0.216 389 P C 1.275 178.445 177.300 -0.216 0.000 1.150 389 P CA 1.192 64.080 63.100 -0.354 0.000 0.843 389 P CB 0.356 31.647 31.700 -0.682 0.000 0.787 390 Q N -0.005 119.720 119.800 -0.126 0.000 2.119 390 Q HA -0.113 4.227 4.340 -0.000 0.000 0.201 390 Q C 2.235 178.199 176.000 -0.060 0.000 0.972 390 Q CA 1.683 57.440 55.803 -0.078 0.000 0.847 390 Q CB -0.561 28.174 28.738 -0.005 0.000 0.903 390 Q HN 0.131 nan 8.270 nan 0.000 0.433 391 A N 0.841 123.643 122.820 -0.031 0.000 1.858 391 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 391 A C 1.994 179.566 177.584 -0.019 0.000 1.190 391 A CA 1.378 53.407 52.037 -0.014 0.000 0.617 391 A CB -0.885 18.119 19.000 0.008 0.000 0.827 391 A HN 0.478 nan 8.150 nan 0.000 0.443 392 L N -0.071 121.138 121.223 -0.024 0.000 2.012 392 L HA -0.192 4.147 4.340 -0.000 0.000 0.210 392 L C 2.504 179.379 176.870 0.008 0.000 1.073 392 L CA 2.088 56.926 54.840 -0.003 0.000 0.748 392 L CB -0.917 41.140 42.059 -0.004 0.000 0.891 392 L HN 0.503 nan 8.230 nan 0.000 0.431 393 c N -0.371 118.202 118.600 -0.045 0.000 2.419 393 c HA -0.085 4.485 4.570 -0.000 0.000 0.281 393 c C 2.540 176.620 174.090 -0.016 0.000 1.336 393 c CA 0.712 57.018 56.329 -0.039 0.000 1.770 393 c CB -1.380 41.034 42.510 -0.160 0.000 1.929 393 c HN 0.595 nan 8.230 nan 0.000 0.509 394 N N 0.311 118.987 118.700 -0.040 0.000 2.333 394 N HA -0.086 4.654 4.740 -0.000 0.000 0.178 394 N C 1.866 177.373 175.510 -0.006 0.000 1.018 394 N CA 0.728 53.754 53.050 -0.040 0.000 0.882 394 N CB -0.268 38.184 38.487 -0.058 0.000 0.984 394 N HN 0.686 nan 8.380 nan 0.000 0.434 395 E N 0.892 121.098 120.200 0.009 0.000 2.028 395 E HA -0.036 4.314 4.350 -0.000 0.000 0.190 395 E C 0.047 176.671 176.600 0.040 0.000 0.984 395 E CA 0.659 57.072 56.400 0.021 0.000 0.800 395 E CB 0.313 30.026 29.700 0.023 0.000 0.758 395 E HN 0.095 nan 8.360 nan 0.000 0.448 396 R N 1.152 121.695 120.500 0.071 0.000 2.280 396 R HA 0.306 4.645 4.340 -0.000 0.000 0.326 396 R C 0.111 176.504 176.300 0.154 0.000 1.080 396 R CA -0.182 55.978 56.100 0.099 0.000 1.002 396 R CB 1.386 31.767 30.300 0.135 0.000 1.136 396 R HN 0.110 nan 8.270 nan 0.000 0.509 397 G N 0.739 109.605 108.800 0.110 0.000 2.509 397 G HA2 0.298 4.257 3.960 -0.000 0.000 0.269 397 G HA3 0.298 4.257 3.960 -0.000 0.000 0.269 397 G C 0.873 175.814 174.900 0.068 0.000 1.416 397 G CA 0.028 45.228 45.100 0.166 0.000 1.052 397 G HN 0.494 nan 8.290 nan 0.000 0.542 398 A N -0.718 122.132 122.820 0.049 0.000 2.070 398 A HA 0.004 4.324 4.320 -0.000 0.000 0.220 398 A C 2.490 179.974 177.584 -0.166 0.000 1.159 398 A CA 2.393 54.307 52.037 -0.205 0.000 0.656 398 A CB -0.621 18.301 19.000 -0.129 0.000 0.800 398 A HN 1.140 nan 8.150 nan 0.000 0.453 399 S N -1.047 114.597 115.700 -0.094 0.000 2.562 399 S HA 0.080 4.550 4.470 -0.000 0.000 0.221 399 S C 0.985 175.552 174.600 -0.055 0.000 0.975 399 S CA 0.637 58.793 58.200 -0.074 0.000 0.918 399 S CB -0.442 62.724 63.200 -0.056 0.000 0.772 399 S HN 0.365 nan 8.310 nan 0.000 0.531 400 S N 2.560 118.227 115.700 -0.055 0.000 2.681 400 S HA 0.310 4.780 4.470 -0.000 0.000 0.313 400 S C 0.194 174.766 174.600 -0.046 0.000 1.137 400 S CA -0.842 57.341 58.200 -0.028 0.000 1.045 400 S CB -0.255 62.950 63.200 0.007 0.000 1.208 400 S HN 0.444 nan 8.310 nan 0.000 0.523 401 R N 2.610 123.091 120.500 -0.032 0.000 2.643 401 R HA 0.455 4.794 4.340 -0.000 0.000 0.270 401 R C 0.859 177.153 176.300 -0.008 0.000 1.061 401 R CA 0.107 56.189 56.100 -0.030 0.000 1.107 401 R CB 0.516 30.807 30.300 -0.016 0.000 0.999 401 R HN 0.643 nan 8.270 nan 0.000 0.460 402 G N -0.383 108.409 108.800 -0.013 0.000 2.975 402 G HA2 0.478 4.438 3.960 -0.000 0.000 0.291 402 G HA3 0.478 4.438 3.960 -0.000 0.000 0.291 402 G C -0.042 174.863 174.900 0.009 0.000 1.334 402 G CA -0.063 45.046 45.100 0.014 0.000 0.843 402 G HN 0.546 nan 8.290 nan 0.000 0.548 403 A N -0.816 122.016 122.820 0.021 0.000 1.819 403 A HA 0.348 4.668 4.320 -0.000 0.000 0.215 403 A C 0.992 178.574 177.584 -0.003 0.000 1.226 403 A CA 0.775 52.822 52.037 0.016 0.000 0.608 403 A CB -0.839 18.184 19.000 0.037 0.000 0.877 403 A HN 0.444 nan 8.150 nan 0.000 0.452 404 L N 0.106 121.324 121.223 -0.010 0.000 2.283 404 L HA 0.580 4.920 4.340 -0.000 0.000 0.281 404 L C 0.336 177.252 176.870 0.076 0.000 1.033 404 L CA 0.105 54.962 54.840 0.027 0.000 0.848 404 L CB 0.462 42.528 42.059 0.010 0.000 1.226 404 L HN 0.804 nan 8.230 nan 0.000 0.429 405 G N 4.009 112.903 108.800 0.156 0.000 2.539 405 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.686 405 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.686 405 G C -3.262 171.561 174.900 -0.129 0.000 1.258 405 G CA -1.160 43.941 45.100 0.001 0.000 0.846 405 G HN 0.328 nan 8.290 nan 0.000 0.647 406 P HA 0.535 nan 4.420 nan 0.000 0.282 406 P C -0.738 176.242 177.300 -0.532 0.000 1.262 406 P CA -0.052 62.681 63.100 -0.612 0.000 0.773 406 P CB 0.295 31.238 31.700 -1.261 0.000 0.879 407 F N 1.358 120.966 119.950 -0.570 0.000 2.539 407 F HA 0.866 5.393 4.527 -0.000 0.000 0.318 407 F C 0.082 175.425 175.800 -0.762 0.000 1.135 407 F CA -0.711 56.771 58.000 -0.864 0.000 0.915 407 F CB 1.676 40.237 39.000 -0.732 0.000 1.176 407 F HN 0.605 nan 8.300 nan 0.000 0.440 408 G N 2.372 110.726 108.800 -0.744 0.000 2.586 408 G HA2 0.427 4.387 3.960 -0.000 0.000 0.105 408 G HA3 0.427 4.387 3.960 -0.000 0.000 0.105 408 G C -2.333 172.731 174.900 0.273 0.000 1.129 408 G CA -0.682 44.382 45.100 -0.060 0.000 1.127 408 G HN 0.658 nan 8.290 nan 0.000 0.532 409 L N 0.096 121.598 121.223 0.464 0.000 2.301 409 L HA 0.811 5.151 4.340 -0.000 0.000 0.264 409 L C -0.674 176.509 176.870 0.522 0.000 1.016 409 L CA -0.670 54.472 54.840 0.504 0.000 0.821 409 L CB 1.953 44.202 42.059 0.316 0.000 1.346 409 L HN 0.443 nan 8.230 nan 0.000 0.429 410 L N 2.384 123.841 121.223 0.389 0.000 2.401 410 L HA 0.667 5.007 4.340 -0.000 0.000 0.263 410 L C -0.361 176.654 176.870 0.242 0.000 1.004 410 L CA -0.464 54.519 54.840 0.238 0.000 0.881 410 L CB 1.298 43.466 42.059 0.183 0.000 1.219 410 L HN 0.681 nan 8.230 nan 0.000 0.441 411 A N 3.686 126.613 122.820 0.179 0.000 2.264 411 A HA 0.715 5.035 4.320 -0.000 0.000 0.304 411 A C 0.793 178.476 177.584 0.164 0.000 1.100 411 A CA -0.529 51.596 52.037 0.147 0.000 0.839 411 A CB 0.691 19.758 19.000 0.111 0.000 1.121 411 A HN 0.706 nan 8.150 nan 0.000 0.496 412 M N -1.364 118.337 119.600 0.169 0.000 2.140 412 M HA -0.214 4.266 4.480 -0.000 0.000 0.191 412 M C 0.367 176.920 176.300 0.421 0.000 0.454 412 M CA 1.101 56.564 55.300 0.272 0.000 0.403 412 M CB -2.867 29.831 32.600 0.162 0.000 1.031 412 M HN 1.086 nan 8.290 nan 0.000 0.937 413 A N 0.080 123.089 122.820 0.315 0.000 2.320 413 A HA 0.785 5.105 4.320 -0.000 0.000 0.334 413 A C 0.605 178.054 177.584 -0.225 0.000 1.147 413 A CA -0.438 51.706 52.037 0.178 0.000 0.820 413 A CB 0.981 20.139 19.000 0.264 0.000 1.218 413 A HN 0.445 nan 8.150 nan 0.000 0.482 414 S N 0.288 115.721 115.700 -0.446 0.000 2.593 414 S HA 0.123 4.592 4.470 -0.000 0.000 0.269 414 S C 1.361 175.683 174.600 -0.465 0.000 1.334 414 S CA -0.296 57.456 58.200 -0.746 0.000 1.015 414 S CB 1.066 64.016 63.200 -0.416 0.000 0.912 414 S HN 0.784 nan 8.310 nan 0.000 0.541 415 K N 1.203 121.246 120.400 -0.595 0.000 2.152 415 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 415 K C 0.879 177.289 176.600 -0.317 0.000 1.048 415 K CA 1.697 57.544 56.287 -0.734 0.000 0.933 415 K CB -0.072 32.136 32.500 -0.487 0.000 0.721 415 K HN 0.756 nan 8.250 nan 0.000 0.447 416 D N 0.056 120.308 120.400 -0.247 0.000 2.368 416 D HA -0.046 4.594 4.640 -0.000 0.000 0.218 416 D C 0.341 176.522 176.300 -0.199 0.000 1.112 416 D CA -0.157 53.734 54.000 -0.182 0.000 0.834 416 D CB 0.121 40.846 40.800 -0.125 0.000 0.953 416 D HN 0.086 nan 8.370 nan 0.000 0.505 417 L N 0.146 121.229 121.223 -0.233 0.000 4.001 417 L HA -0.272 4.067 4.340 -0.000 0.000 0.413 417 L C 1.629 178.415 176.870 -0.141 0.000 1.185 417 L CA 0.762 55.468 54.840 -0.223 0.000 0.963 417 L CB -1.992 39.867 42.059 -0.334 0.000 1.976 417 L HN 0.164 nan 8.230 nan 0.000 0.939 418 K N 0.272 120.611 120.400 -0.102 0.000 2.057 418 K HA -0.055 4.264 4.320 -0.000 0.000 0.206 418 K C 0.336 176.935 176.600 -0.003 0.000 1.050 418 K CA 1.472 57.732 56.287 -0.045 0.000 0.935 418 K CB 0.189 32.679 32.500 -0.016 0.000 0.715 418 K HN 0.546 nan 8.250 nan 0.000 0.439 419 E N 0.565 120.788 120.200 0.038 0.000 2.187 419 E HA 0.159 4.509 4.350 -0.000 0.000 0.268 419 E C -1.268 175.401 176.600 0.114 0.000 0.896 419 E CA -0.627 55.847 56.400 0.124 0.000 0.766 419 E CB 1.893 31.773 29.700 0.300 0.000 1.142 419 E HN 0.228 nan 8.360 nan 0.000 0.408 420 Q N 0.135 119.987 119.800 0.087 0.000 2.479 420 Q HA 0.546 4.886 4.340 -0.000 0.000 0.276 420 Q C -1.434 174.601 176.000 0.059 0.000 0.989 420 Q CA -0.973 54.872 55.803 0.070 0.000 0.864 420 Q CB 1.653 30.370 28.738 -0.035 0.000 1.444 420 Q HN 0.235 nan 8.270 nan 0.000 0.388 421 S N 0.853 116.600 115.700 0.078 0.000 2.566 421 S HA 0.723 5.193 4.470 -0.000 0.000 0.324 421 S C -0.906 173.740 174.600 0.076 0.000 1.081 421 S CA -0.568 57.670 58.200 0.062 0.000 1.105 421 S CB 1.335 64.574 63.200 0.064 0.000 0.981 421 S HN 0.675 nan 8.310 nan 0.000 0.464 422 A N 3.635 126.505 122.820 0.083 0.000 2.252 422 A HA 0.687 5.007 4.320 -0.000 0.000 0.309 422 A C -0.503 177.184 177.584 0.172 0.000 1.285 422 A CA -0.453 51.706 52.037 0.202 0.000 0.900 422 A CB -0.202 18.957 19.000 0.266 0.000 1.157 422 A HN 0.662 nan 8.150 nan 0.000 0.536 423 I N 4.461 125.130 120.570 0.165 0.000 2.330 423 I HA 0.520 4.690 4.170 -0.000 0.000 0.286 423 I C -0.316 175.753 176.117 -0.080 0.000 1.025 423 I CA -0.019 61.229 61.300 -0.086 0.000 1.197 423 I CB 0.106 38.071 38.000 -0.059 0.000 1.358 423 I HN 0.587 nan 8.210 nan 0.000 0.467 424 F N 4.427 124.184 119.950 -0.321 0.000 2.726 424 F HA 0.824 5.350 4.527 -0.000 0.000 0.324 424 F C -1.428 173.845 175.800 -0.879 0.000 1.140 424 F CA -1.567 56.100 58.000 -0.556 0.000 0.964 424 F CB 0.983 39.797 39.000 -0.310 0.000 1.399 424 F HN 0.013 nan 8.300 nan 0.000 0.491 425 F N 0.325 120.065 119.950 -0.349 0.000 2.598 425 F HA 0.812 5.339 4.527 -0.000 0.000 0.327 425 F C -0.124 175.352 175.800 -0.541 0.000 1.057 425 F CA -0.971 56.717 58.000 -0.521 0.000 0.957 425 F CB 1.995 40.528 39.000 -0.778 0.000 1.278 425 F HN 0.310 nan 8.300 nan 0.000 0.484 426 R N 0.604 121.034 120.500 -0.116 0.000 2.651 426 R HA 0.719 5.059 4.340 -0.000 0.000 0.278 426 R C -2.044 174.062 176.300 -0.324 0.000 1.010 426 R CA -0.884 55.055 56.100 -0.269 0.000 0.896 426 R CB 2.680 32.809 30.300 -0.284 0.000 1.211 426 R HN 0.449 nan 8.270 nan 0.000 0.456 427 V N 4.091 123.762 119.914 -0.405 0.000 2.487 427 V HA 0.559 4.679 4.120 -0.000 0.000 0.298 427 V C -0.808 175.078 176.094 -0.348 0.000 1.028 427 V CA -0.550 61.608 62.300 -0.235 0.000 0.860 427 V CB 1.398 33.198 31.823 -0.038 0.000 0.991 427 V HN 0.535 nan 8.190 nan 0.000 0.427 428 F N 2.094 122.175 119.950 0.219 0.000 2.712 428 F HA 0.821 5.347 4.527 -0.000 0.000 0.367 428 F C 0.159 176.092 175.800 0.222 0.000 1.132 428 F CA -0.868 57.247 58.000 0.191 0.000 1.066 428 F CB 1.690 40.781 39.000 0.153 0.000 1.416 428 F HN 0.526 nan 8.300 nan 0.000 0.515 429 Q N 0.334 120.343 119.800 0.349 0.000 2.386 429 Q HA 0.440 4.780 4.340 -0.000 0.000 0.274 429 Q C -1.821 174.195 176.000 0.026 0.000 1.011 429 Q CA -1.207 54.649 55.803 0.089 0.000 0.867 429 Q CB 2.083 30.801 28.738 -0.034 0.000 1.409 429 Q HN 0.623 nan 8.270 nan 0.000 0.395 430 N N 1.011 119.677 118.700 -0.056 0.000 2.405 430 N HA 0.068 4.807 4.740 -0.000 0.000 0.269 430 N C 0.337 175.811 175.510 -0.060 0.000 1.249 430 N CA -0.506 52.511 53.050 -0.054 0.000 0.974 430 N CB 0.387 38.832 38.487 -0.070 0.000 1.204 430 N HN 0.628 nan 8.380 nan 0.000 0.565 431 Q N -0.958 118.814 119.800 -0.047 0.000 2.561 431 Q HA 0.040 4.380 4.340 -0.000 0.000 0.217 431 Q C 0.183 176.153 176.000 -0.050 0.000 0.980 431 Q CA 0.586 56.366 55.803 -0.039 0.000 0.927 431 Q CB -0.303 28.417 28.738 -0.030 0.000 0.980 431 Q HN 0.489 nan 8.270 nan 0.000 0.525 432 L N -1.211 119.970 121.223 -0.070 0.000 2.857 432 L HA 0.255 4.595 4.340 -0.000 0.000 0.249 432 L C 1.154 177.956 176.870 -0.114 0.000 1.172 432 L CA 0.568 55.364 54.840 -0.075 0.000 0.980 432 L CB 0.302 42.322 42.059 -0.065 0.000 1.299 432 L HN 0.238 nan 8.230 nan 0.000 0.535 433 G N -0.365 108.340 108.800 -0.158 0.000 2.168 433 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.263 433 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.263 433 G C 0.621 175.227 174.900 -0.490 0.000 0.977 433 G CA -0.067 44.867 45.100 -0.277 0.000 0.659 433 G HN 0.174 nan 8.290 nan 0.000 0.533 434 R N -0.336 119.958 120.500 -0.343 0.000 2.357 434 R HA 0.484 4.824 4.340 -0.000 0.000 0.296 434 R C -0.246 175.855 176.300 -0.332 0.000 1.052 434 R CA -0.493 55.423 56.100 -0.307 0.000 0.988 434 R CB 0.379 30.601 30.300 -0.131 0.000 1.025 434 R HN 0.262 nan 8.270 nan 0.000 0.469 435 Y N 0.083 120.404 120.300 0.036 0.000 2.310 435 Y HA 0.218 4.768 4.550 -0.000 0.000 0.326 435 Y C 0.768 176.706 175.900 0.062 0.000 1.151 435 Y CA -0.224 57.911 58.100 0.058 0.000 1.195 435 Y CB 1.370 39.860 38.460 0.050 0.000 1.210 435 Y HN 0.470 nan 8.280 nan 0.000 0.483 436 S N 0.864 116.736 115.700 0.286 0.000 2.526 436 S HA 0.800 5.270 4.470 -0.000 0.000 0.293 436 S C -1.278 173.514 174.600 0.320 0.000 1.092 436 S CA -0.942 57.393 58.200 0.225 0.000 0.980 436 S CB 1.630 64.890 63.200 0.099 0.000 1.048 436 S HN 0.313 nan 8.310 nan 0.000 0.483 437 V N 3.007 123.110 119.914 0.315 0.000 2.448 437 V HA 0.546 4.665 4.120 -0.000 0.000 0.295 437 V C -0.614 175.733 176.094 0.421 0.000 1.025 437 V CA -0.668 61.800 62.300 0.279 0.000 0.859 437 V CB 1.312 33.222 31.823 0.145 0.000 0.988 437 V HN 0.873 nan 8.190 nan 0.000 0.431 438 L N 5.563 126.984 121.223 0.330 0.000 2.325 438 L HA 0.714 5.053 4.340 -0.000 0.000 0.278 438 L C -0.435 176.479 176.870 0.074 0.000 1.023 438 L CA -0.167 54.751 54.840 0.131 0.000 0.811 438 L CB 1.519 43.639 42.059 0.102 0.000 1.249 438 L HN 0.769 nan 8.230 nan 0.000 0.431 439 M N 4.764 124.307 119.600 -0.095 0.000 2.311 439 M HA 0.545 5.025 4.480 -0.000 0.000 0.325 439 M C -1.632 174.396 176.300 -0.453 0.000 1.061 439 M CA -0.251 54.892 55.300 -0.261 0.000 0.957 439 M CB 1.246 33.778 32.600 -0.114 0.000 1.646 439 M HN 0.758 nan 8.290 nan 0.000 0.434 440 c N 1.244 119.397 118.600 -0.746 0.000 2.779 440 c HA 0.738 5.308 4.570 -0.000 0.000 0.314 440 c C -0.415 173.241 174.090 -0.723 0.000 1.231 440 c CA -0.606 55.230 56.329 -0.822 0.000 1.652 440 c CB 2.410 44.111 42.510 -1.348 0.000 2.198 440 c HN 0.856 nan 8.230 nan 0.000 0.483 441 S N 1.017 116.447 115.700 -0.449 0.000 2.539 441 S HA 0.182 4.652 4.470 -0.000 0.000 0.235 441 S C -0.973 173.503 174.600 -0.207 0.000 1.326 441 S CA -0.203 57.846 58.200 -0.251 0.000 1.183 441 S CB 0.407 63.567 63.200 -0.066 0.000 1.073 441 S HN 0.823 nan 8.310 nan 0.000 0.480 442 D N 3.045 123.348 120.400 -0.163 0.000 2.508 442 D HA 0.191 4.831 4.640 -0.000 0.000 0.224 442 D C 0.568 176.850 176.300 -0.030 0.000 1.171 442 D CA -0.350 53.625 54.000 -0.042 0.000 1.006 442 D CB 0.155 41.058 40.800 0.171 0.000 1.073 442 D HN 0.193 nan 8.370 nan 0.000 0.513 443 L N 2.037 123.212 121.223 -0.080 0.000 2.627 443 L HA 0.016 4.355 4.340 -0.000 0.000 0.233 443 L C 2.350 179.194 176.870 -0.043 0.000 1.144 443 L CA 0.454 55.263 54.840 -0.051 0.000 0.892 443 L CB -1.181 40.835 42.059 -0.071 0.000 1.039 443 L HN 0.393 nan 8.230 nan 0.000 0.442 444 S N -0.374 115.299 115.700 -0.046 0.000 2.370 444 S HA -0.222 4.247 4.470 -0.000 0.000 0.226 444 S C 2.035 176.627 174.600 -0.013 0.000 1.033 444 S CA 1.030 59.210 58.200 -0.034 0.000 1.011 444 S CB -0.221 62.963 63.200 -0.027 0.000 0.852 444 S HN 0.489 nan 8.310 nan 0.000 0.457 445 R N 0.778 121.275 120.500 -0.004 0.000 2.468 445 R HA 0.230 4.570 4.340 -0.000 0.000 0.280 445 R C 2.079 178.397 176.300 0.031 0.000 0.963 445 R CA 0.575 56.677 56.100 0.004 0.000 1.083 445 R CB 0.017 30.307 30.300 -0.016 0.000 1.200 445 R HN 0.702 nan 8.270 nan 0.000 0.541 446 S N -0.936 114.785 115.700 0.036 0.000 2.402 446 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 446 S C 0.992 175.652 174.600 0.100 0.000 1.030 446 S CA 1.349 59.589 58.200 0.066 0.000 1.003 446 S CB 0.018 63.246 63.200 0.046 0.000 0.813 446 S HN 0.184 nan 8.310 nan 0.000 0.477 447 T N -0.620 113.983 114.554 0.082 0.000 2.894 447 T HA 0.498 4.848 4.350 -0.000 0.000 0.309 447 T C 0.333 175.074 174.700 0.070 0.000 1.208 447 T CA -0.233 61.925 62.100 0.097 0.000 1.016 447 T CB 1.806 70.734 68.868 0.100 0.000 1.192 447 T HN 0.425 nan 8.240 nan 0.000 0.491 448 V N 1.466 121.427 119.914 0.078 0.000 3.650 448 V HA 0.494 4.614 4.120 -0.000 0.000 0.271 448 V C 1.040 177.157 176.094 0.038 0.000 1.281 448 V CA 0.002 62.334 62.300 0.054 0.000 1.120 448 V CB -0.769 31.091 31.823 0.062 0.000 0.856 448 V HN 0.681 nan 8.190 nan 0.000 0.443 449 R N 1.470 121.995 120.500 0.042 0.000 2.784 449 R HA 0.404 4.744 4.340 -0.000 0.000 0.266 449 R C 0.221 176.516 176.300 -0.008 0.000 1.044 449 R CA 0.315 56.425 56.100 0.016 0.000 1.151 449 R CB 0.482 30.788 30.300 0.010 0.000 1.037 449 R HN 0.488 nan 8.270 nan 0.000 0.478 450 S N 0.773 116.459 115.700 -0.023 0.000 2.651 450 S HA 0.210 4.680 4.470 -0.000 0.000 0.291 450 S C 0.076 174.641 174.600 -0.059 0.000 1.141 450 S CA -0.903 57.277 58.200 -0.033 0.000 1.027 450 S CB 1.189 64.373 63.200 -0.026 0.000 1.043 450 S HN 0.815 nan 8.310 nan 0.000 0.530 451 N N -0.226 118.440 118.700 -0.057 0.000 2.776 451 N HA -0.130 4.609 4.740 -0.000 0.000 0.249 451 N C -1.276 174.169 175.510 -0.109 0.000 1.111 451 N CA 0.211 53.216 53.050 -0.076 0.000 0.711 451 N CB -0.979 37.459 38.487 -0.081 0.000 1.065 451 N HN 0.318 nan 8.380 nan 0.000 0.556 452 I N 0.595 121.110 120.570 -0.092 0.000 2.436 452 I HA 0.165 4.335 4.170 -0.000 0.000 0.289 452 I C 0.240 176.329 176.117 -0.047 0.000 1.010 452 I CA -0.519 60.717 61.300 -0.106 0.000 1.098 452 I CB 1.455 39.406 38.000 -0.082 0.000 1.266 452 I HN -0.023 nan 8.210 nan 0.000 0.434 453 D N 5.123 125.502 120.400 -0.035 0.000 2.349 453 D HA 0.058 4.698 4.640 -0.000 0.000 0.266 453 D C 0.677 176.980 176.300 0.005 0.000 1.293 453 D CA 0.247 54.240 54.000 -0.011 0.000 0.926 453 D CB 0.755 41.558 40.800 0.005 0.000 1.090 453 D HN 0.617 nan 8.370 nan 0.000 0.502 454 T N 0.005 114.544 114.554 -0.026 0.000 3.258 454 T HA 0.153 4.503 4.350 -0.000 0.000 0.263 454 T C 0.585 175.212 174.700 -0.122 0.000 0.983 454 T CA -0.654 61.419 62.100 -0.045 0.000 0.907 454 T CB -0.277 68.575 68.868 -0.027 0.000 1.096 454 T HN 0.142 nan 8.240 nan 0.000 0.556 455 T N 2.976 117.427 114.554 -0.172 0.000 2.930 455 T HA 0.290 4.640 4.350 -0.000 0.000 0.306 455 T C 0.447 174.781 174.700 -0.609 0.000 1.045 455 T CA -0.062 61.854 62.100 -0.307 0.000 1.134 455 T CB 0.740 69.445 68.868 -0.273 0.000 0.961 455 T HN 0.343 nan 8.240 nan 0.000 0.545 456 S N 1.508 116.900 115.700 -0.512 0.000 2.616 456 S HA 0.550 5.020 4.470 -0.000 0.000 0.277 456 S C -0.906 173.262 174.600 -0.720 0.000 1.234 456 S CA -0.670 57.202 58.200 -0.547 0.000 1.028 456 S CB 0.346 63.391 63.200 -0.259 0.000 0.988 456 S HN 0.526 nan 8.310 nan 0.000 0.522 457 Y N -0.066 120.168 120.300 -0.111 0.000 2.509 457 Y HA 0.748 5.297 4.550 -0.000 0.000 0.341 457 Y C 0.698 176.484 175.900 -0.190 0.000 1.038 457 Y CA -0.832 57.197 58.100 -0.118 0.000 1.089 457 Y CB 1.862 40.265 38.460 -0.094 0.000 1.241 457 Y HN 0.820 nan 8.280 nan 0.000 0.468 458 G N -0.132 108.636 108.800 -0.053 0.000 2.704 458 G HA2 0.796 4.756 3.960 -0.000 0.000 0.293 458 G HA3 0.796 4.756 3.960 -0.000 0.000 0.293 458 G C -2.011 172.688 174.900 -0.335 0.000 1.421 458 G CA -0.614 44.352 45.100 -0.224 0.000 0.870 458 G HN 0.904 nan 8.290 nan 0.000 0.492 459 A N -0.037 122.518 122.820 -0.442 0.000 2.594 459 A HA 0.722 5.041 4.320 -0.000 0.000 0.296 459 A C -1.412 175.912 177.584 -0.435 0.000 1.061 459 A CA -0.778 50.911 52.037 -0.580 0.000 0.689 459 A CB 0.707 19.229 19.000 -0.797 0.000 1.280 459 A HN 0.714 nan 8.150 nan 0.000 0.406 460 F N 0.772 120.629 119.950 -0.155 0.000 2.389 460 F HA 0.483 5.010 4.527 -0.000 0.000 0.337 460 F C 0.566 176.369 175.800 0.005 0.000 1.112 460 F CA -0.039 57.949 58.000 -0.019 0.000 1.192 460 F CB 1.553 40.555 39.000 0.005 0.000 1.185 460 F HN 0.286 nan 8.300 nan 0.000 0.552 461 V N 1.629 121.705 119.914 0.270 0.000 2.370 461 V HA 0.109 4.229 4.120 -0.000 0.000 0.283 461 V C -0.513 175.685 176.094 0.173 0.000 1.023 461 V CA -0.860 61.561 62.300 0.201 0.000 0.857 461 V CB 1.496 33.445 31.823 0.210 0.000 0.985 461 V HN 0.620 nan 8.190 nan 0.000 0.443 462 D N 5.942 126.428 120.400 0.143 0.000 2.551 462 D HA 0.383 5.023 4.640 -0.000 0.000 0.223 462 D C -0.249 176.107 176.300 0.092 0.000 1.144 462 D CA 0.113 54.180 54.000 0.112 0.000 1.025 462 D CB -0.262 40.599 40.800 0.102 0.000 1.085 462 D HN 0.599 nan 8.370 nan 0.000 0.506 463 I N -1.356 119.265 120.570 0.085 0.000 2.827 463 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 463 I C -1.136 175.019 176.117 0.063 0.000 1.235 463 I CA -1.320 60.017 61.300 0.062 0.000 1.021 463 I CB 2.141 40.165 38.000 0.040 0.000 1.259 463 I HN -0.212 nan 8.210 nan 0.000 0.427 464 D N 6.902 127.335 120.400 0.054 0.000 2.422 464 D HA 0.325 4.965 4.640 -0.000 0.000 0.227 464 D C -1.441 174.872 176.300 0.021 0.000 1.190 464 D CA -2.376 51.663 54.000 0.065 0.000 0.905 464 D CB 1.152 41.993 40.800 0.068 0.000 1.034 464 D HN 0.374 nan 8.370 nan 0.000 0.507 465 P HA -0.164 nan 4.420 nan 0.000 0.229 465 P C 0.962 178.183 177.300 -0.132 0.000 1.150 465 P CA 0.474 63.522 63.100 -0.086 0.000 0.765 465 P CB 0.181 31.805 31.700 -0.128 0.000 0.783 466 R N 0.795 121.239 120.500 -0.094 0.000 2.335 466 R HA 0.097 4.437 4.340 -0.000 0.000 0.223 466 R C 0.514 176.801 176.300 -0.022 0.000 0.940 466 R CA 0.741 56.796 56.100 -0.075 0.000 1.086 466 R CB 0.061 30.383 30.300 0.036 0.000 1.073 466 R HN 0.194 nan 8.270 nan 0.000 0.504 467 S N -2.356 113.332 115.700 -0.020 0.000 2.790 467 S HA 0.160 4.630 4.470 -0.000 0.000 0.213 467 S C -0.639 173.956 174.600 -0.008 0.000 0.790 467 S CA -0.818 57.377 58.200 -0.008 0.000 1.339 467 S CB 0.157 63.363 63.200 0.010 0.000 1.297 467 S HN 0.217 nan 8.310 nan 0.000 0.565 468 E N 0.867 121.057 120.200 -0.017 0.000 2.343 468 E HA 0.350 4.700 4.350 -0.000 0.000 0.278 468 E C -1.469 175.118 176.600 -0.023 0.000 0.910 468 E CA -0.552 55.840 56.400 -0.013 0.000 0.757 468 E CB 2.076 31.774 29.700 -0.002 0.000 1.218 468 E HN 0.346 nan 8.360 nan 0.000 0.435 469 E N 2.225 122.416 120.200 -0.015 0.000 2.313 469 E HA 0.224 4.573 4.350 -0.000 0.000 0.276 469 E C -0.307 176.291 176.600 -0.003 0.000 1.031 469 E CA -0.261 56.134 56.400 -0.007 0.000 0.857 469 E CB 1.065 30.763 29.700 -0.003 0.000 1.040 469 E HN 0.329 nan 8.360 nan 0.000 0.408 470 I N 3.180 123.750 120.570 -0.000 0.000 2.452 470 I HA -0.022 4.148 4.170 -0.000 0.000 0.287 470 I C 0.454 176.594 176.117 0.040 0.000 1.079 470 I CA 0.163 61.398 61.300 -0.108 0.000 1.387 470 I CB 0.250 38.077 38.000 -0.289 0.000 1.404 470 I HN 0.400 nan 8.210 nan 0.000 0.522 471 S N 7.297 123.027 115.700 0.050 0.000 2.621 471 S HA 0.861 5.331 4.470 -0.000 0.000 0.302 471 S C -0.784 174.044 174.600 0.381 0.000 1.093 471 S CA -0.872 57.444 58.200 0.194 0.000 1.017 471 S CB 2.562 65.851 63.200 0.148 0.000 1.077 471 S HN 0.467 nan 8.310 nan 0.000 0.517 472 L N 0.807 122.293 121.223 0.439 0.000 2.482 472 L HA 0.679 5.019 4.340 -0.000 0.000 0.263 472 L C -0.937 176.158 176.870 0.375 0.000 0.957 472 L CA -0.478 54.663 54.840 0.502 0.000 0.836 472 L CB 2.153 44.576 42.059 0.608 0.000 1.324 472 L HN 0.962 nan 8.230 nan 0.000 0.406 473 R N 3.661 124.386 120.500 0.376 0.000 2.561 473 R HA 0.583 4.923 4.340 -0.000 0.000 0.297 473 R C -1.558 174.902 176.300 0.266 0.000 0.969 473 R CA -0.553 55.719 56.100 0.286 0.000 0.879 473 R CB 1.385 31.806 30.300 0.201 0.000 1.178 473 R HN 0.792 nan 8.270 nan 0.000 0.445 474 N N 5.261 124.081 118.700 0.199 0.000 2.354 474 N HA 0.310 5.050 4.740 -0.000 0.000 0.287 474 N C -1.029 174.578 175.510 0.161 0.000 1.016 474 N CA -0.535 52.620 53.050 0.175 0.000 0.871 474 N CB 2.247 40.818 38.487 0.139 0.000 1.299 474 N HN 0.434 nan 8.380 nan 0.000 0.482 475 L N 3.729 125.066 121.223 0.190 0.000 2.264 475 L HA 0.507 4.846 4.340 -0.000 0.000 0.287 475 L C -0.022 176.989 176.870 0.235 0.000 1.039 475 L CA -0.429 54.546 54.840 0.226 0.000 0.829 475 L CB 0.575 42.801 42.059 0.279 0.000 1.211 475 L HN 0.349 nan 8.230 nan 0.000 0.427 476 I N 3.271 123.973 120.570 0.221 0.000 2.321 476 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 476 I C -0.343 175.858 176.117 0.140 0.000 0.998 476 I CA 0.040 61.421 61.300 0.134 0.000 1.227 476 I CB 1.417 39.470 38.000 0.089 0.000 1.368 476 I HN 0.477 nan 8.210 nan 0.000 0.466 477 D N 5.483 125.888 120.400 0.008 0.000 2.517 477 D HA 0.241 4.881 4.640 -0.000 0.000 0.263 477 D C 0.282 176.608 176.300 0.042 0.000 1.233 477 D CA -0.177 53.796 54.000 -0.045 0.000 0.849 477 D CB 0.187 40.765 40.800 -0.371 0.000 1.261 477 D HN 0.654 nan 8.370 nan 0.000 0.516 478 H N 0.077 119.106 119.070 -0.068 0.000 1.470 478 H HA -0.311 4.245 4.556 -0.000 0.000 0.090 478 H C 1.448 176.740 175.328 -0.059 0.000 0.594 478 H CA 2.674 58.689 56.048 -0.056 0.000 1.899 478 H CB -1.355 28.376 29.762 -0.051 0.000 2.254 478 H HN 0.352 nan 8.280 nan 0.000 0.961 479 S N 1.606 117.357 115.700 0.085 0.000 2.597 479 S HA 0.377 4.847 4.470 -0.000 0.000 0.224 479 S C 0.513 174.975 174.600 -0.230 0.000 0.955 479 S CA 0.293 58.427 58.200 -0.110 0.000 0.933 479 S CB 0.344 63.478 63.200 -0.111 0.000 0.788 479 S HN 0.441 nan 8.310 nan 0.000 0.488 480 I N 0.379 120.837 120.570 -0.186 0.000 2.722 480 I HA 0.589 4.759 4.170 -0.000 0.000 0.295 480 I C -2.035 173.990 176.117 -0.153 0.000 1.161 480 I CA -1.477 59.691 61.300 -0.220 0.000 1.032 480 I CB 2.035 39.822 38.000 -0.356 0.000 1.244 480 I HN 0.114 nan 8.210 nan 0.000 0.421 481 I N 6.439 126.953 120.570 -0.093 0.000 2.499 481 I HA 0.366 4.536 4.170 -0.000 0.000 0.288 481 I C -0.959 175.139 176.117 -0.032 0.000 1.048 481 I CA -0.541 60.743 61.300 -0.026 0.000 1.062 481 I CB 2.098 40.092 38.000 -0.009 0.000 1.238 481 I HN 0.495 nan 8.210 nan 0.000 0.426 482 E N 4.824 125.032 120.200 0.013 0.000 2.129 482 E HA 0.401 4.751 4.350 -0.000 0.000 0.268 482 E C -1.043 175.453 176.600 -0.174 0.000 0.900 482 E CA -0.501 55.839 56.400 -0.099 0.000 0.755 482 E CB 1.948 31.661 29.700 0.022 0.000 1.117 482 E HN 0.427 nan 8.360 nan 0.000 0.410 483 S N 2.835 118.356 115.700 -0.298 0.000 2.442 483 S HA 0.409 4.878 4.470 -0.000 0.000 0.297 483 S C -0.701 173.683 174.600 -0.360 0.000 1.131 483 S CA -0.614 57.468 58.200 -0.197 0.000 1.092 483 S CB 0.234 63.356 63.200 -0.129 0.000 0.998 483 S HN 0.313 nan 8.310 nan 0.000 0.478 484 F N 1.995 121.978 119.950 0.054 0.000 2.325 484 F HA 0.456 4.983 4.527 -0.000 0.000 0.369 484 F C 1.011 176.967 175.800 0.261 0.000 1.095 484 F CA -0.638 57.441 58.000 0.132 0.000 1.082 484 F CB 1.055 40.105 39.000 0.083 0.000 1.289 484 F HN 0.656 nan 8.300 nan 0.000 0.462 485 G N 1.716 110.743 108.800 0.378 0.000 2.372 485 G HA2 0.452 4.412 3.960 -0.000 0.000 0.283 485 G HA3 0.452 4.412 3.960 -0.000 0.000 0.283 485 G C 0.243 175.379 174.900 0.393 0.000 1.177 485 G CA -0.262 45.117 45.100 0.466 0.000 0.842 485 G HN 1.194 nan 8.290 nan 0.000 0.503 486 A N 0.798 123.819 122.820 0.335 0.000 2.466 486 A HA 0.244 4.564 4.320 -0.000 0.000 0.295 486 A C 2.028 179.729 177.584 0.196 0.000 1.465 486 A CA 1.546 53.706 52.037 0.204 0.000 0.744 486 A CB -1.361 17.721 19.000 0.137 0.000 1.098 486 A HN 3.008 nan 8.150 nan 0.000 0.402 487 G N -1.333 107.608 108.800 0.236 0.000 2.186 487 G HA2 0.178 4.138 3.960 -0.000 0.000 0.266 487 G HA3 0.178 4.138 3.960 -0.000 0.000 0.266 487 G C 1.181 176.182 174.900 0.168 0.000 0.982 487 G CA 1.233 46.335 45.100 0.004 0.000 0.670 487 G HN 3.102 nan 8.290 nan 0.000 0.533 488 G N -1.484 107.571 108.800 0.425 0.000 2.198 488 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.156 488 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.156 488 G C 0.817 175.840 174.900 0.205 0.000 1.012 488 G CA 0.940 46.283 45.100 0.405 0.000 0.692 488 G HN 0.698 nan 8.290 nan 0.000 0.492 489 K N -0.161 120.355 120.400 0.193 0.000 2.228 489 K HA 0.120 4.440 4.320 -0.000 0.000 0.202 489 K C 0.208 176.924 176.600 0.192 0.000 1.051 489 K CA 1.231 57.612 56.287 0.157 0.000 0.960 489 K CB 0.220 32.807 32.500 0.145 0.000 0.743 489 K HN 0.299 nan 8.250 nan 0.000 0.458 490 T N 0.760 115.443 114.554 0.216 0.000 2.965 490 T HA 0.270 4.620 4.350 -0.000 0.000 0.306 490 T C -0.957 173.824 174.700 0.134 0.000 0.991 490 T CA -0.623 61.602 62.100 0.208 0.000 1.001 490 T CB 1.228 70.206 68.868 0.183 0.000 0.984 490 T HN 0.041 nan 8.240 nan 0.000 0.446 491 C N 4.066 123.388 119.300 0.036 0.000 2.382 491 C HA 0.765 5.225 4.460 -0.000 0.000 0.327 491 C C -0.072 174.769 174.990 -0.248 0.000 1.250 491 C CA -0.905 57.972 59.018 -0.236 0.000 1.707 491 C CB -0.171 27.327 27.740 -0.403 0.000 2.272 491 C HN 0.826 nan 8.230 nan 0.000 0.506 492 I N 2.331 122.708 120.570 -0.321 0.000 2.534 492 I HA 0.253 4.423 4.170 -0.000 0.000 0.286 492 I C -0.290 175.662 176.117 -0.275 0.000 1.094 492 I CA 0.149 61.302 61.300 -0.246 0.000 1.055 492 I CB 1.863 39.783 38.000 -0.132 0.000 1.225 492 I HN 0.584 nan 8.210 nan 0.000 0.435 493 T N 4.107 118.494 114.554 -0.279 0.000 2.799 493 T HA 0.484 4.834 4.350 -0.000 0.000 0.286 493 T C -0.101 174.493 174.700 -0.177 0.000 0.973 493 T CA -0.455 61.533 62.100 -0.187 0.000 1.035 493 T CB 1.234 70.062 68.868 -0.067 0.000 0.932 493 T HN 0.486 nan 8.240 nan 0.000 0.469 494 S N 2.894 118.538 115.700 -0.093 0.000 2.526 494 S HA 0.609 5.079 4.470 -0.000 0.000 0.293 494 S C -0.635 173.927 174.600 -0.063 0.000 1.092 494 S CA -1.141 57.049 58.200 -0.017 0.000 0.980 494 S CB 1.360 64.590 63.200 0.050 0.000 1.048 494 S HN 0.381 nan 8.310 nan 0.000 0.483 495 R N 2.921 123.393 120.500 -0.048 0.000 2.343 495 R HA 0.515 4.854 4.340 -0.000 0.000 0.320 495 R C -0.567 175.609 176.300 -0.205 0.000 0.956 495 R CA -0.616 55.379 56.100 -0.175 0.000 0.836 495 R CB 0.873 31.097 30.300 -0.128 0.000 1.151 495 R HN 0.733 nan 8.270 nan 0.000 0.450 496 I N -0.137 120.217 120.570 -0.360 0.000 2.608 496 I HA 0.470 4.640 4.170 -0.000 0.000 0.295 496 I C -1.161 174.697 176.117 -0.432 0.000 1.049 496 I CA -0.988 60.167 61.300 -0.241 0.000 1.063 496 I CB 1.907 39.866 38.000 -0.068 0.000 1.248 496 I HN 0.485 nan 8.210 nan 0.000 0.424 497 Y N 5.469 125.743 120.300 -0.044 0.000 2.562 497 Y HA 0.411 4.961 4.550 -0.000 0.000 0.363 497 Y C -2.360 173.586 175.900 0.076 0.000 0.991 497 Y CA -2.093 55.955 58.100 -0.086 0.000 1.121 497 Y CB 0.484 38.659 38.460 -0.475 0.000 1.159 497 Y HN 0.435 nan 8.280 nan 0.000 0.651 498 P HA -0.016 nan 4.420 nan 0.000 0.270 498 P C 0.538 177.861 177.300 0.038 0.000 1.223 498 P CA -0.020 63.114 63.100 0.056 0.000 0.785 498 P CB 1.821 33.453 31.700 -0.113 0.000 0.923 499 K N 1.173 121.613 120.400 0.067 0.000 2.098 499 K HA -0.063 4.257 4.320 -0.000 0.000 0.203 499 K C 2.109 178.718 176.600 0.015 0.000 1.051 499 K CA 0.869 57.206 56.287 0.084 0.000 0.957 499 K CB -0.478 32.094 32.500 0.119 0.000 0.738 499 K HN 0.436 nan 8.250 nan 0.000 0.447 500 F N 1.406 121.407 119.950 0.085 0.000 2.192 500 F HA -0.213 4.313 4.527 -0.000 0.000 0.301 500 F C 1.647 177.472 175.800 0.043 0.000 1.079 500 F CA 1.037 59.075 58.000 0.062 0.000 1.303 500 F CB -1.510 37.529 39.000 0.066 0.000 1.024 500 F HN -0.144 nan 8.300 nan 0.000 0.494 501 V N -0.448 119.042 119.914 -0.706 0.000 2.636 501 V HA -0.328 3.792 4.120 -0.000 0.000 0.258 501 V C 1.986 177.974 176.094 -0.177 0.000 1.092 501 V CA 2.289 64.320 62.300 -0.448 0.000 1.110 501 V CB -1.304 30.160 31.823 -0.599 0.000 0.685 501 V HN 0.531 nan 8.190 nan 0.000 0.481 502 N N 1.595 120.222 118.700 -0.122 0.000 2.512 502 N HA -0.052 4.687 4.740 -0.000 0.000 0.183 502 N C 0.973 176.492 175.510 0.014 0.000 1.073 502 N CA 1.704 54.723 53.050 -0.052 0.000 0.911 502 N CB -0.028 38.453 38.487 -0.010 0.000 0.964 502 N HN 0.880 nan 8.380 nan 0.000 0.447 503 N N -0.516 118.221 118.700 0.063 0.000 2.919 503 N HA -0.027 4.713 4.740 -0.000 0.000 0.263 503 N C -0.023 175.557 175.510 0.117 0.000 0.913 503 N CA -0.241 52.858 53.050 0.082 0.000 1.085 503 N CB 0.150 38.688 38.487 0.085 0.000 1.553 503 N HN 0.191 nan 8.380 nan 0.000 0.932 504 E N 1.436 121.746 120.200 0.184 0.000 2.351 504 E HA 0.296 4.645 4.350 -0.000 0.000 0.255 504 E C -0.712 176.053 176.600 0.275 0.000 1.188 504 E CA -0.503 56.017 56.400 0.200 0.000 0.940 504 E CB 1.107 30.918 29.700 0.185 0.000 1.094 504 E HN 0.162 nan 8.360 nan 0.000 0.474 505 E N -0.418 119.907 120.200 0.209 0.000 2.312 505 E HA 0.437 4.787 4.350 -0.000 0.000 0.259 505 E C -0.632 176.129 176.600 0.268 0.000 1.122 505 E CA -0.864 55.646 56.400 0.183 0.000 0.922 505 E CB 1.412 31.127 29.700 0.025 0.000 1.109 505 E HN 0.596 nan 8.360 nan 0.000 0.442 506 A N 1.310 124.286 122.820 0.260 0.000 2.271 506 A HA 0.458 4.778 4.320 -0.000 0.000 0.288 506 A C -0.876 176.674 177.584 -0.058 0.000 1.094 506 A CA -0.224 52.003 52.037 0.317 0.000 0.828 506 A CB 0.373 19.587 19.000 0.356 0.000 1.091 506 A HN 0.612 nan 8.150 nan 0.000 0.493 507 H N -1.588 117.431 119.070 -0.085 0.000 2.855 507 H HA 0.711 5.267 4.556 -0.000 0.000 0.363 507 H C -1.282 173.880 175.328 -0.276 0.000 1.185 507 H CA -0.559 55.332 56.048 -0.261 0.000 1.174 507 H CB 1.576 31.111 29.762 -0.378 0.000 1.857 507 H HN 0.541 nan 8.280 nan 0.000 0.565 508 L N 1.657 122.635 121.223 -0.408 0.000 2.409 508 L HA 0.565 4.905 4.340 -0.000 0.000 0.272 508 L C -1.952 174.633 176.870 -0.475 0.000 0.980 508 L CA -0.345 54.334 54.840 -0.269 0.000 0.826 508 L CB 0.478 42.439 42.059 -0.163 0.000 1.268 508 L HN 0.479 nan 8.230 nan 0.000 0.407 509 F N 3.726 123.720 119.950 0.073 0.000 2.588 509 F HA 0.745 5.272 4.527 -0.000 0.000 0.314 509 F C -0.250 175.672 175.800 0.203 0.000 1.069 509 F CA -0.888 57.171 58.000 0.097 0.000 0.931 509 F CB 2.332 41.374 39.000 0.070 0.000 1.260 509 F HN 0.138 nan 8.300 nan 0.000 0.465 510 V N 2.974 123.149 119.914 0.435 0.000 2.581 510 V HA 0.657 4.777 4.120 -0.000 0.000 0.303 510 V C -0.724 175.659 176.094 0.482 0.000 1.041 510 V CA -0.840 61.711 62.300 0.417 0.000 0.907 510 V CB 1.679 33.675 31.823 0.288 0.000 0.994 510 V HN 0.657 nan 8.190 nan 0.000 0.442 511 F N 1.377 121.465 119.950 0.231 0.000 2.686 511 F HA 0.627 5.154 4.527 -0.000 0.000 0.311 511 F C -1.049 174.823 175.800 0.121 0.000 1.128 511 F CA -0.944 57.138 58.000 0.136 0.000 0.946 511 F CB 2.114 41.150 39.000 0.060 0.000 1.336 511 F HN 0.460 nan 8.300 nan 0.000 0.457 512 N N 1.702 120.398 118.700 -0.006 0.000 2.558 512 N HA 0.258 4.998 4.740 -0.000 0.000 0.285 512 N C -1.441 174.097 175.510 0.047 0.000 1.112 512 N CA -0.411 52.572 53.050 -0.111 0.000 0.857 512 N CB 1.070 39.523 38.487 -0.056 0.000 1.376 512 N HN 0.749 nan 8.380 nan 0.000 0.526 513 N N 2.127 120.857 118.700 0.050 0.000 2.275 513 N HA 0.218 4.958 4.740 -0.000 0.000 0.236 513 N C 0.318 175.825 175.510 -0.004 0.000 1.154 513 N CA -0.097 52.997 53.050 0.074 0.000 0.866 513 N CB 0.783 39.347 38.487 0.128 0.000 1.093 513 N HN 0.670 nan 8.380 nan 0.000 0.515 514 G N -1.010 107.778 108.800 -0.020 0.000 2.510 514 G HA2 0.199 4.159 3.960 -0.000 0.000 0.280 514 G HA3 0.199 4.159 3.960 -0.000 0.000 0.280 514 G C 0.829 175.721 174.900 -0.014 0.000 1.386 514 G CA 0.236 45.324 45.100 -0.020 0.000 1.047 514 G HN 0.247 nan 8.290 nan 0.000 0.527 515 T N -3.054 111.492 114.554 -0.013 0.000 3.010 515 T HA 0.283 4.633 4.350 -0.000 0.000 0.257 515 T C 0.631 175.320 174.700 -0.019 0.000 1.020 515 T CA 0.015 62.109 62.100 -0.010 0.000 0.938 515 T CB 0.407 69.274 68.868 -0.002 0.000 1.049 515 T HN 0.264 nan 8.240 nan 0.000 0.522 516 Q N 1.377 121.157 119.800 -0.032 0.000 2.241 516 Q HA 0.485 4.825 4.340 -0.000 0.000 0.262 516 Q C -0.515 175.439 176.000 -0.077 0.000 1.014 516 Q CA -0.631 55.141 55.803 -0.051 0.000 0.885 516 Q CB 1.159 29.860 28.738 -0.062 0.000 1.311 516 Q HN 0.261 nan 8.270 nan 0.000 0.461 517 N N 0.293 118.942 118.700 -0.084 0.000 2.515 517 N HA 0.409 5.149 4.740 -0.000 0.000 0.279 517 N C -0.720 174.693 175.510 -0.161 0.000 1.164 517 N CA -0.086 52.907 53.050 -0.095 0.000 0.982 517 N CB 1.534 39.982 38.487 -0.064 0.000 1.170 517 N HN 0.307 nan 8.380 nan 0.000 0.474 518 V N -1.138 118.672 119.914 -0.173 0.000 2.686 518 V HA 0.515 4.635 4.120 -0.000 0.000 0.306 518 V C -0.371 175.681 176.094 -0.070 0.000 1.065 518 V CA -1.009 61.146 62.300 -0.243 0.000 0.894 518 V CB 2.039 33.542 31.823 -0.533 0.000 1.004 518 V HN 0.518 nan 8.190 nan 0.000 0.424 519 K N 4.031 124.409 120.400 -0.036 0.000 2.206 519 K HA 0.637 4.956 4.320 -0.000 0.000 0.264 519 K C -0.902 175.714 176.600 0.027 0.000 0.967 519 K CA -0.898 55.389 56.287 -0.000 0.000 0.844 519 K CB 1.768 34.251 32.500 -0.028 0.000 1.099 519 K HN 0.862 nan 8.250 nan 0.000 0.441 520 I N 4.641 125.211 120.570 0.001 0.000 2.329 520 I HA -0.073 4.097 4.170 -0.000 0.000 0.295 520 I C 1.594 177.646 176.117 -0.109 0.000 1.109 520 I CA -0.063 61.163 61.300 -0.123 0.000 1.297 520 I CB 1.037 38.966 38.000 -0.117 0.000 1.433 520 I HN 0.793 nan 8.210 nan 0.000 0.509 521 S N 4.583 120.212 115.700 -0.117 0.000 2.368 521 S HA -0.109 4.360 4.470 -0.000 0.000 0.225 521 S C 0.600 175.148 174.600 -0.087 0.000 1.030 521 S CA 0.657 58.809 58.200 -0.080 0.000 0.999 521 S CB 0.083 63.244 63.200 -0.066 0.000 0.844 521 S HN 0.770 nan 8.310 nan 0.000 0.459 522 E N -0.833 119.294 120.200 -0.122 0.000 2.400 522 E HA 0.477 4.826 4.350 -0.000 0.000 0.285 522 E C -1.767 174.749 176.600 -0.140 0.000 1.005 522 E CA -0.615 55.720 56.400 -0.109 0.000 0.816 522 E CB 1.378 31.035 29.700 -0.072 0.000 1.220 522 E HN 0.308 nan 8.360 nan 0.000 0.426 523 M N 3.260 122.780 119.600 -0.133 0.000 2.378 523 M HA 0.455 4.935 4.480 -0.000 0.000 0.289 523 M C -1.961 174.234 176.300 -0.175 0.000 1.136 523 M CA -0.414 54.803 55.300 -0.140 0.000 0.917 523 M CB 2.037 34.554 32.600 -0.138 0.000 1.669 523 M HN 0.624 nan 8.290 nan 0.000 0.461 524 S N 3.145 118.711 115.700 -0.223 0.000 2.557 524 S HA 0.942 5.412 4.470 -0.000 0.000 0.291 524 S C -1.031 173.209 174.600 -0.601 0.000 1.116 524 S CA -0.731 57.176 58.200 -0.489 0.000 0.992 524 S CB 1.861 64.685 63.200 -0.628 0.000 1.028 524 S HN 0.896 nan 8.310 nan 0.000 0.484 525 A N 3.303 125.737 122.820 -0.644 0.000 2.355 525 A HA 0.805 5.125 4.320 -0.000 0.000 0.317 525 A C -1.075 176.234 177.584 -0.457 0.000 1.094 525 A CA -0.772 51.039 52.037 -0.376 0.000 0.764 525 A CB 1.039 19.937 19.000 -0.170 0.000 1.230 525 A HN 0.841 nan 8.150 nan 0.000 0.448 526 W N 1.007 122.283 121.300 -0.041 0.000 2.844 526 W HA 0.447 5.106 4.660 -0.001 0.000 0.340 526 W C -0.415 176.071 176.519 -0.056 0.000 1.093 526 W CA -0.607 56.706 57.345 -0.053 0.000 1.212 526 W CB 2.437 31.852 29.460 -0.075 0.000 1.422 526 W HN 0.624 nan 8.180 nan 0.000 0.515 527 S N 3.163 118.969 115.700 0.176 0.000 2.489 527 S HA 0.334 4.804 4.470 -0.000 0.000 0.277 527 S C 0.242 174.884 174.600 0.069 0.000 1.230 527 S CA -0.555 57.701 58.200 0.094 0.000 1.053 527 S CB 0.443 63.678 63.200 0.059 0.000 0.955 527 S HN 0.149 nan 8.310 nan 0.000 0.488 528 M N 4.108 123.729 119.600 0.036 0.000 2.144 528 M HA 0.240 4.720 4.480 -0.000 0.000 0.356 528 M C 0.294 176.601 176.300 0.012 0.000 1.217 528 M CA -0.504 54.754 55.300 -0.071 0.000 1.087 528 M CB 0.529 32.966 32.600 -0.271 0.000 1.609 528 M HN 0.591 nan 8.290 nan 0.000 0.467 529 K N 2.658 123.043 120.400 -0.025 0.000 2.168 529 K HA 0.323 4.643 4.320 -0.000 0.000 0.258 529 K C -0.189 176.454 176.600 0.072 0.000 1.010 529 K CA -0.570 55.733 56.287 0.027 0.000 0.929 529 K CB 1.009 33.508 32.500 -0.002 0.000 0.998 529 K HN 0.525 nan 8.250 nan 0.000 0.479 530 N N -0.059 118.706 118.700 0.109 0.000 2.416 530 N HA 0.041 4.780 4.740 -0.000 0.000 0.246 530 N C -0.457 175.120 175.510 0.113 0.000 1.260 530 N CA -0.299 52.846 53.050 0.159 0.000 0.897 530 N CB 0.713 39.281 38.487 0.135 0.000 1.110 530 N HN 0.701 nan 8.380 nan 0.000 0.439 531 A N 1.716 124.639 122.820 0.171 0.000 2.286 531 A HA 0.242 4.562 4.320 -0.000 0.000 0.286 531 A C -0.093 177.402 177.584 -0.149 0.000 1.097 531 A CA -0.287 51.744 52.037 -0.010 0.000 0.821 531 A CB 0.500 19.507 19.000 0.012 0.000 1.076 531 A HN 0.600 nan 8.150 nan 0.000 0.490 532 K N 0.454 120.664 120.400 -0.317 0.000 2.211 532 K HA 0.470 4.790 4.320 -0.000 0.000 0.275 532 K C -1.809 174.518 176.600 -0.455 0.000 1.024 532 K CA 0.276 56.422 56.287 -0.235 0.000 0.887 532 K CB 0.877 33.296 32.500 -0.136 0.000 1.084 532 K HN 0.507 nan 8.250 nan 0.000 0.463 533 F N 3.042 123.005 119.950 0.021 0.000 2.552 533 F HA 0.141 4.668 4.527 -0.000 0.000 0.369 533 F C 0.032 175.836 175.800 0.006 0.000 1.112 533 F CA -1.142 56.845 58.000 -0.021 0.000 1.129 533 F CB 1.052 40.040 39.000 -0.020 0.000 1.360 533 F HN 0.153 nan 8.300 nan 0.000 0.473 534 V N 0.724 120.700 119.914 0.104 0.000 2.607 534 V HA 0.646 4.766 4.120 -0.000 0.000 0.289 534 V C -0.257 175.927 176.094 0.150 0.000 1.053 534 V CA -0.744 61.622 62.300 0.109 0.000 0.996 534 V CB 1.369 33.230 31.823 0.064 0.000 0.995 534 V HN 0.286 nan 8.190 nan 0.000 0.476 535 V N 4.110 124.125 119.914 0.168 0.000 2.350 535 V HA 0.410 4.530 4.120 -0.000 0.000 0.276 535 V C -0.320 175.852 176.094 0.130 0.000 1.028 535 V CA 0.009 62.422 62.300 0.188 0.000 0.860 535 V CB 1.143 33.059 31.823 0.154 0.000 0.990 535 V HN 1.068 nan 8.190 nan 0.000 0.453 536 D N 4.383 124.861 120.400 0.130 0.000 2.432 536 D HA 0.427 5.066 4.640 -0.000 0.000 0.265 536 D C 0.172 176.538 176.300 0.111 0.000 1.160 536 D CA -0.090 53.979 54.000 0.114 0.000 0.911 536 D CB 1.010 41.886 40.800 0.127 0.000 1.052 536 D HN 0.623 nan 8.370 nan 0.000 0.508 537 Q N 0.805 120.661 119.800 0.094 0.000 2.784 537 Q HA 0.515 4.855 4.340 -0.000 0.000 0.207 537 Q C -0.261 175.782 176.000 0.071 0.000 1.021 537 Q CA -0.675 55.178 55.803 0.083 0.000 0.417 537 Q CB 0.506 29.284 28.738 0.067 0.000 4.567 537 Q HN 0.337 nan 8.270 nan 0.000 0.306 538 S N 0.000 115.734 115.700 0.057 0.000 2.498 538 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 538 S CA 0.000 58.228 58.200 0.047 0.000 1.107 538 S CB 0.000 63.229 63.200 0.049 0.000 0.593 538 S HN 0.000 nan 8.310 nan 0.000 0.517