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 1uf2_1_Q DATA FIRST_RESID 1 DATA SEQUENCE MSRQMWLDTS ALLEAISEYV VRCNGDTFSG LTTGDFNALS NMFTQLSVSS DATA SEQUENCE AGYVSDPRVP LQTMSNMFVS FITSTDRCGY MLRKTWFNSD TKPTVSDDFI DATA SEQUENCE TTYIRPRLQV PMSDTVRQLN NLSLQPSAKP KLYERQNAIM KGLDIPYSEP DATA SEQUENCE IEPCKLFRSV AGQTGNIPMM GILATPPAAQ QQPFFVAERR RILFGIRSNA DATA SEQUENCE AIPAGAYQFV VPAWASVLSV TGAYVYFTNS FFGTIIAGVT ATATAADAAT DATA SEQUENCE TFTVPTDANN LPVQTDSRLS FSLGGGNINL ELGVAKTGFC VAIEGEFTIL DATA SEQUENCE ANRSQAYYTL NSITQTPTSI DDFDVSDFLT TFLSQLRACG QYEIFSDAMD DATA SEQUENCE QLTNSLITNY MDPPAIPAGL AFTSPWFRFS ERARTILALQ NVDLNIRKLI DATA SEQUENCE VRHLWVITSL IAVFGRYYRP N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.740 176.300 0.734 0.000 1.140 1 M CA 0.000 55.591 55.300 0.485 0.000 0.988 1 M CB 0.000 32.711 32.600 0.184 0.000 1.302 2 S N 1.416 117.352 115.700 0.394 0.000 2.593 2 S HA -0.073 4.396 4.470 -0.000 0.000 0.303 2 S C 1.149 175.920 174.600 0.285 0.000 1.267 2 S CA 0.825 59.179 58.200 0.257 0.000 1.047 2 S CB 0.424 63.696 63.200 0.120 0.000 0.777 2 S HN 0.565 nan 8.310 nan 0.000 0.498 3 R N 2.858 123.263 120.500 -0.158 0.000 2.105 3 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 3 R C 2.069 178.357 176.300 -0.019 0.000 1.135 3 R CA 1.732 57.543 56.100 -0.482 0.000 0.967 3 R CB -0.570 29.097 30.300 -1.054 0.000 0.861 3 R HN 0.625 nan 8.270 nan 0.000 0.442 4 Q N 1.178 120.967 119.800 -0.019 0.000 2.124 4 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 4 Q C 2.122 178.208 176.000 0.144 0.000 0.977 4 Q CA 1.913 57.746 55.803 0.051 0.000 0.850 4 Q CB -0.162 28.585 28.738 0.015 0.000 0.901 4 Q HN 0.455 nan 8.270 nan 0.000 0.429 5 M N -1.811 117.888 119.600 0.165 0.000 2.213 5 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 5 M C 1.361 177.765 176.300 0.174 0.000 1.062 5 M CA 1.434 56.813 55.300 0.132 0.000 1.105 5 M CB -0.287 32.371 32.600 0.096 0.000 1.385 5 M HN 0.275 nan 8.290 nan 0.000 0.417 6 W N 0.393 121.855 121.300 0.270 0.000 2.408 6 W HA -0.092 4.568 4.660 -0.000 0.000 0.311 6 W C 2.055 178.769 176.519 0.326 0.000 1.190 6 W CA 0.934 58.490 57.345 0.352 0.000 1.321 6 W CB -0.540 29.210 29.460 0.483 0.000 1.143 6 W HN 0.054 nan 8.180 nan 0.000 0.501 7 L N -0.023 121.501 121.223 0.501 0.000 1.978 7 L HA -0.317 4.023 4.340 -0.000 0.000 0.218 7 L C 2.045 179.121 176.870 0.344 0.000 1.075 7 L CA 1.800 56.895 54.840 0.424 0.000 0.767 7 L CB -1.123 41.136 42.059 0.333 0.000 0.890 7 L HN -0.053 nan 8.230 nan 0.000 0.434 8 D N -0.597 119.944 120.400 0.234 0.000 2.133 8 D HA -0.194 4.446 4.640 -0.000 0.000 0.192 8 D C 2.141 178.466 176.300 0.042 0.000 1.001 8 D CA 1.921 55.975 54.000 0.089 0.000 0.844 8 D CB -0.182 40.652 40.800 0.057 0.000 0.944 8 D HN 0.243 nan 8.370 nan 0.000 0.447 9 T N -0.965 113.649 114.554 0.101 0.000 2.821 9 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 9 T C 1.974 176.690 174.700 0.026 0.000 1.046 9 T CA 1.369 63.501 62.100 0.054 0.000 1.139 9 T CB -0.372 68.548 68.868 0.086 0.000 0.871 9 T HN 0.120 nan 8.240 nan 0.000 0.454 10 S N 1.657 117.487 115.700 0.216 0.000 2.359 10 S HA -0.164 4.306 4.470 -0.000 0.000 0.223 10 S C 2.452 177.064 174.600 0.020 0.000 1.039 10 S CA 1.611 59.906 58.200 0.159 0.000 1.042 10 S CB -0.686 62.765 63.200 0.418 0.000 0.915 10 S HN 0.498 nan 8.310 nan 0.000 0.439 11 A N 1.299 124.121 122.820 0.002 0.000 1.986 11 A HA -0.067 4.253 4.320 -0.000 0.000 0.220 11 A C 2.224 179.716 177.584 -0.153 0.000 1.171 11 A CA 1.866 53.784 52.037 -0.197 0.000 0.640 11 A CB -0.927 17.681 19.000 -0.654 0.000 0.811 11 A HN 0.644 nan 8.150 nan 0.000 0.451 12 L N -0.444 120.702 121.223 -0.128 0.000 2.023 12 L HA -0.030 4.310 4.340 -0.000 0.000 0.205 12 L C 2.275 179.083 176.870 -0.103 0.000 1.073 12 L CA 1.666 56.435 54.840 -0.118 0.000 0.745 12 L CB -0.587 41.404 42.059 -0.113 0.000 0.900 12 L HN 0.387 nan 8.230 nan 0.000 0.435 13 L N -0.496 120.638 121.223 -0.149 0.000 2.083 13 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 13 L C 2.557 179.408 176.870 -0.033 0.000 1.083 13 L CA 1.686 56.438 54.840 -0.147 0.000 0.752 13 L CB -0.544 41.303 42.059 -0.353 0.000 0.899 13 L HN 0.452 nan 8.230 nan 0.000 0.433 14 E N -0.119 120.070 120.200 -0.018 0.000 2.274 14 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 14 E C 2.128 178.771 176.600 0.073 0.000 0.996 14 E CA 0.843 57.280 56.400 0.062 0.000 0.840 14 E CB 0.144 29.899 29.700 0.091 0.000 0.772 14 E HN 0.477 nan 8.360 nan 0.000 0.491 15 A N 0.726 123.568 122.820 0.036 0.000 1.903 15 A HA -0.047 4.273 4.320 -0.000 0.000 0.213 15 A C 2.053 179.717 177.584 0.134 0.000 1.185 15 A CA 0.492 52.581 52.037 0.087 0.000 0.628 15 A CB -0.381 18.634 19.000 0.025 0.000 0.830 15 A HN 0.230 nan 8.150 nan 0.000 0.446 16 I N -0.007 120.591 120.570 0.045 0.000 2.194 16 I HA -0.286 3.884 4.170 -0.000 0.000 0.246 16 I C 2.883 179.070 176.117 0.117 0.000 1.093 16 I CA 1.640 62.957 61.300 0.028 0.000 1.355 16 I CB -0.291 37.719 38.000 0.016 0.000 1.046 16 I HN 0.487 nan 8.210 nan 0.000 0.413 17 S N 0.695 116.480 115.700 0.142 0.000 2.363 17 S HA -0.324 4.146 4.470 -0.000 0.000 0.218 17 S C 2.057 176.730 174.600 0.121 0.000 1.035 17 S CA 2.114 60.415 58.200 0.168 0.000 1.043 17 S CB -0.481 62.817 63.200 0.163 0.000 0.986 17 S HN 0.544 nan 8.310 nan 0.000 0.423 18 E N -0.708 119.548 120.200 0.093 0.000 2.132 18 E HA -0.296 4.054 4.350 -0.000 0.000 0.218 18 E C 1.894 178.445 176.600 -0.081 0.000 1.058 18 E CA 2.251 58.652 56.400 0.003 0.000 0.882 18 E CB -0.549 29.140 29.700 -0.018 0.000 0.774 18 E HN 0.791 nan 8.360 nan 0.000 0.467 19 Y N -0.209 120.083 120.300 -0.014 0.000 2.293 19 Y HA -0.129 4.421 4.550 -0.000 0.000 0.291 19 Y C 2.354 178.253 175.900 -0.001 0.000 1.137 19 Y CA 0.953 59.033 58.100 -0.033 0.000 1.202 19 Y CB -0.102 38.292 38.460 -0.109 0.000 0.990 19 Y HN -0.002 nan 8.280 nan 0.000 0.537 20 V N -1.051 118.946 119.914 0.139 0.000 2.407 20 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 20 V C 2.128 178.287 176.094 0.107 0.000 1.055 20 V CA 1.618 64.012 62.300 0.156 0.000 1.049 20 V CB -0.672 31.277 31.823 0.209 0.000 0.662 20 V HN 0.241 nan 8.190 nan 0.000 0.455 21 V N -0.156 119.796 119.914 0.063 0.000 2.427 21 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 21 V C 2.512 178.609 176.094 0.004 0.000 1.051 21 V CA 1.889 64.206 62.300 0.028 0.000 1.048 21 V CB -0.846 30.979 31.823 0.004 0.000 0.666 21 V HN 0.472 nan 8.190 nan 0.000 0.456 22 R N -0.576 119.906 120.500 -0.031 0.000 2.092 22 R HA -0.120 4.220 4.340 -0.000 0.000 0.231 22 R C 2.229 178.545 176.300 0.026 0.000 1.119 22 R CA 1.769 57.843 56.100 -0.043 0.000 0.970 22 R CB -0.616 29.597 30.300 -0.146 0.000 0.864 22 R HN 0.467 nan 8.270 nan 0.000 0.440 23 C N 0.519 119.865 119.300 0.077 0.000 2.481 23 C HA 0.024 4.484 4.460 -0.000 0.000 0.275 23 C C 1.203 176.211 174.990 0.029 0.000 1.419 23 C CA -0.715 58.365 59.018 0.103 0.000 1.773 23 C CB -1.652 26.229 27.740 0.236 0.000 1.862 23 C HN 0.473 nan 8.230 nan 0.000 0.530 24 N N 0.822 119.540 118.700 0.030 0.000 2.411 24 N HA 0.209 4.949 4.740 -0.000 0.000 0.265 24 N C 1.134 176.616 175.510 -0.047 0.000 1.266 24 N CA 0.866 53.916 53.050 -0.001 0.000 0.889 24 N CB 0.144 38.642 38.487 0.018 0.000 1.069 24 N HN 0.547 nan 8.380 nan 0.000 0.476 25 G N 3.291 112.025 108.800 -0.111 0.000 2.179 25 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.257 25 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.257 25 G C -0.019 174.724 174.900 -0.261 0.000 1.010 25 G CA 0.318 45.321 45.100 -0.162 0.000 0.736 25 G HN 0.774 nan 8.290 nan 0.000 0.513 26 D N -0.141 120.067 120.400 -0.319 0.000 2.582 26 D HA 0.190 4.830 4.640 -0.000 0.000 0.246 26 D C 0.822 176.840 176.300 -0.469 0.000 1.334 26 D CA 0.736 54.571 54.000 -0.274 0.000 0.805 26 D CB 0.375 41.184 40.800 0.015 0.000 1.087 26 D HN 0.450 nan 8.370 nan 0.000 0.499 27 T N -0.470 113.664 114.554 -0.700 0.000 3.145 27 T HA 0.474 4.824 4.350 -0.000 0.000 0.348 27 T C 0.189 174.498 174.700 -0.650 0.000 1.299 27 T CA -0.563 61.191 62.100 -0.577 0.000 1.037 27 T CB -0.383 68.190 68.868 -0.492 0.000 1.122 27 T HN -0.201 nan 8.240 nan 0.000 0.600 28 F N 0.436 120.319 119.950 -0.111 0.000 2.410 28 F HA 0.476 5.003 4.527 -0.000 0.000 0.324 28 F C 2.032 177.787 175.800 -0.074 0.000 1.093 28 F CA -1.079 56.876 58.000 -0.074 0.000 1.028 28 F CB 0.846 39.820 39.000 -0.043 0.000 1.309 28 F HN 0.316 nan 8.300 nan 0.000 0.499 29 S N 0.789 116.592 115.700 0.172 0.000 2.351 29 S HA -0.124 4.346 4.470 -0.000 0.000 0.220 29 S C 1.927 176.560 174.600 0.055 0.000 1.035 29 S CA 1.681 59.926 58.200 0.075 0.000 1.031 29 S CB -0.689 62.552 63.200 0.068 0.000 0.928 29 S HN 0.891 nan 8.310 nan 0.000 0.433 30 G N 0.336 109.173 108.800 0.061 0.000 3.088 30 G HA2 0.378 4.338 3.960 -0.000 0.000 0.217 30 G HA3 0.378 4.338 3.960 -0.000 0.000 0.217 30 G C 0.211 175.139 174.900 0.045 0.000 1.159 30 G CA -0.243 44.881 45.100 0.039 0.000 0.760 30 G HN 0.270 nan 8.290 nan 0.000 0.550 31 L N 0.632 121.900 121.223 0.075 0.000 2.399 31 L HA 0.496 4.836 4.340 -0.000 0.000 0.265 31 L C -0.169 176.750 176.870 0.082 0.000 1.089 31 L CA -0.355 54.534 54.840 0.082 0.000 0.802 31 L CB 1.795 43.934 42.059 0.132 0.000 1.180 31 L HN -0.164 nan 8.230 nan 0.000 0.454 32 T N 0.186 114.791 114.554 0.086 0.000 2.906 32 T HA 0.336 4.685 4.350 -0.000 0.000 0.302 32 T C -0.358 174.412 174.700 0.116 0.000 1.002 32 T CA -0.511 61.653 62.100 0.107 0.000 0.988 32 T CB 1.373 70.286 68.868 0.075 0.000 0.972 32 T HN 0.485 nan 8.240 nan 0.000 0.447 33 T N 2.145 116.797 114.554 0.163 0.000 2.824 33 T HA 0.433 4.783 4.350 -0.000 0.000 0.280 33 T C 1.652 176.442 174.700 0.151 0.000 0.995 33 T CA -0.574 61.620 62.100 0.156 0.000 1.009 33 T CB 1.659 70.637 68.868 0.182 0.000 0.955 33 T HN 0.665 nan 8.240 nan 0.000 0.452 34 G N 1.842 110.709 108.800 0.112 0.000 2.475 34 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 34 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 34 G C 1.004 175.975 174.900 0.118 0.000 1.125 34 G CA 0.693 45.847 45.100 0.089 0.000 0.755 34 G HN 0.632 nan 8.290 nan 0.000 0.565 35 D N -0.028 120.484 120.400 0.187 0.000 2.084 35 D HA -0.080 4.560 4.640 -0.000 0.000 0.196 35 D C 1.930 178.369 176.300 0.233 0.000 0.985 35 D CA 0.416 54.592 54.000 0.293 0.000 0.826 35 D CB -0.539 40.408 40.800 0.244 0.000 0.978 35 D HN 0.246 nan 8.370 nan 0.000 0.456 36 F N 1.585 121.580 119.950 0.075 0.000 2.216 36 F HA -0.142 4.385 4.527 -0.000 0.000 0.300 36 F C 1.770 177.565 175.800 -0.008 0.000 1.085 36 F CA 1.023 59.044 58.000 0.035 0.000 1.326 36 F CB -0.295 38.735 39.000 0.050 0.000 1.027 36 F HN -0.164 nan 8.300 nan 0.000 0.497 37 N N 0.467 119.143 118.700 -0.040 0.000 2.084 37 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 37 N C 2.059 177.414 175.510 -0.257 0.000 1.030 37 N CA 1.726 54.691 53.050 -0.140 0.000 0.849 37 N CB -0.830 37.633 38.487 -0.042 0.000 1.012 37 N HN 0.347 nan 8.380 nan 0.000 0.423 38 A N 0.698 123.360 122.820 -0.263 0.000 1.865 38 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 38 A C 2.169 179.421 177.584 -0.554 0.000 1.191 38 A CA 1.269 53.037 52.037 -0.448 0.000 0.623 38 A CB -1.057 17.512 19.000 -0.719 0.000 0.826 38 A HN 0.265 nan 8.150 nan 0.000 0.444 39 L N 0.988 121.880 121.223 -0.553 0.000 1.956 39 L HA -0.234 4.106 4.340 -0.000 0.000 0.216 39 L C 2.819 179.148 176.870 -0.902 0.000 1.073 39 L CA 3.151 57.564 54.840 -0.711 0.000 0.762 39 L CB -0.886 40.842 42.059 -0.553 0.000 0.889 39 L HN 0.515 nan 8.230 nan 0.000 0.433 40 S N -0.806 114.414 115.700 -0.801 0.000 2.420 40 S HA -0.203 4.267 4.470 -0.000 0.000 0.237 40 S C 1.818 176.276 174.600 -0.236 0.000 1.023 40 S CA 1.416 59.338 58.200 -0.464 0.000 0.991 40 S CB -0.902 62.078 63.200 -0.366 0.000 0.792 40 S HN 0.573 nan 8.310 nan 0.000 0.488 41 N N 1.390 119.920 118.700 -0.284 0.000 2.250 41 N HA 0.168 4.908 4.740 -0.000 0.000 0.181 41 N C 1.696 177.096 175.510 -0.184 0.000 1.017 41 N CA 1.187 54.127 53.050 -0.183 0.000 0.866 41 N CB -0.335 38.039 38.487 -0.188 0.000 0.985 41 N HN 0.460 nan 8.380 nan 0.000 0.429 42 M N -0.320 119.104 119.600 -0.294 0.000 2.159 42 M HA -0.059 4.421 4.480 -0.000 0.000 0.263 42 M C 1.751 177.988 176.300 -0.105 0.000 1.063 42 M CA 1.265 56.418 55.300 -0.245 0.000 1.110 42 M CB -0.401 31.992 32.600 -0.345 0.000 1.374 42 M HN 0.056 nan 8.290 nan 0.000 0.411 43 F N 0.006 119.859 119.950 -0.162 0.000 2.202 43 F HA -0.260 4.267 4.527 -0.000 0.000 0.301 43 F C 2.478 178.199 175.800 -0.131 0.000 1.082 43 F CA 0.836 58.745 58.000 -0.152 0.000 1.313 43 F CB -0.483 38.414 39.000 -0.171 0.000 1.024 43 F HN 0.174 nan 8.300 nan 0.000 0.495 44 T N -0.897 113.696 114.554 0.064 0.000 2.701 44 T HA -0.249 4.101 4.350 -0.000 0.000 0.263 44 T C 1.657 176.336 174.700 -0.035 0.000 1.040 44 T CA 1.181 63.281 62.100 0.001 0.000 1.147 44 T CB -0.362 68.497 68.868 -0.015 0.000 0.865 44 T HN 0.141 nan 8.240 nan 0.000 0.426 45 Q N 0.423 120.191 119.800 -0.053 0.000 2.376 45 Q HA -0.029 4.311 4.340 -0.000 0.000 0.211 45 Q C 1.946 177.899 176.000 -0.079 0.000 0.986 45 Q CA 0.774 56.533 55.803 -0.074 0.000 0.886 45 Q CB -0.504 28.182 28.738 -0.087 0.000 0.927 45 Q HN 0.502 nan 8.270 nan 0.000 0.457 46 L N -0.328 120.866 121.223 -0.049 0.000 1.937 46 L HA -0.118 4.222 4.340 -0.000 0.000 0.213 46 L C 0.927 177.694 176.870 -0.172 0.000 1.077 46 L CA 0.915 55.735 54.840 -0.035 0.000 0.758 46 L CB -0.686 41.404 42.059 0.051 0.000 0.888 46 L HN 0.189 nan 8.230 nan 0.000 0.433 47 S N -0.347 115.243 115.700 -0.182 0.000 2.481 47 S HA 0.095 4.565 4.470 -0.000 0.000 0.282 47 S C 0.960 175.409 174.600 -0.251 0.000 1.243 47 S CA -0.673 57.345 58.200 -0.302 0.000 1.078 47 S CB 1.217 64.313 63.200 -0.173 0.000 0.916 47 S HN 0.099 nan 8.310 nan 0.000 0.495 48 V N 2.728 122.453 119.914 -0.314 0.000 2.594 48 V HA -0.093 4.027 4.120 -0.000 0.000 0.253 48 V C 1.549 177.551 176.094 -0.153 0.000 1.069 48 V CA 1.605 63.778 62.300 -0.211 0.000 1.082 48 V CB -1.232 30.462 31.823 -0.215 0.000 0.680 48 V HN 1.023 nan 8.190 nan 0.000 0.469 49 S N 0.336 115.940 115.700 -0.160 0.000 2.416 49 S HA 0.518 4.988 4.470 -0.000 0.000 0.287 49 S C 0.004 174.554 174.600 -0.083 0.000 1.139 49 S CA 0.259 58.396 58.200 -0.105 0.000 1.058 49 S CB 0.992 64.137 63.200 -0.093 0.000 0.967 49 S HN 0.687 nan 8.310 nan 0.000 0.495 50 S N 2.164 117.827 115.700 -0.062 0.000 3.661 50 S HA 0.088 4.558 4.470 -0.000 0.000 0.772 50 S C 0.140 174.713 174.600 -0.046 0.000 1.194 50 S CA 0.158 58.331 58.200 -0.046 0.000 1.148 50 S CB -1.244 61.932 63.200 -0.039 0.000 0.564 50 S HN 2.506 nan 8.310 nan 0.000 0.482 51 A N 1.401 124.204 122.820 -0.028 0.000 2.502 51 A HA 0.619 4.939 4.320 -0.000 0.000 0.253 51 A C 0.665 178.253 177.584 0.007 0.000 0.938 51 A CA 0.784 52.809 52.037 -0.020 0.000 1.086 51 A CB -0.105 18.880 19.000 -0.025 0.000 1.176 51 A HN 1.871 nan 8.150 nan 0.000 0.499 52 G N -0.736 108.071 108.800 0.012 0.000 2.503 52 G HA2 0.382 4.342 3.960 -0.000 0.000 0.257 52 G HA3 0.382 4.342 3.960 -0.000 0.000 0.257 52 G C -0.144 174.806 174.900 0.084 0.000 1.214 52 G CA -0.377 44.752 45.100 0.048 0.000 0.839 52 G HN 0.458 nan 8.290 nan 0.000 0.559 53 Y N 1.747 122.047 120.300 -0.001 0.000 2.810 53 Y HA 0.132 4.682 4.550 -0.000 0.000 0.332 53 Y C 0.502 176.413 175.900 0.018 0.000 1.243 53 Y CA -0.172 57.936 58.100 0.012 0.000 1.537 53 Y CB 0.431 38.905 38.460 0.024 0.000 1.265 53 Y HN 0.248 nan 8.280 nan 0.000 0.572 54 V N 7.992 127.612 119.914 -0.490 0.000 2.387 54 V HA 0.009 4.129 4.120 -0.000 0.000 0.260 54 V C 1.057 176.738 176.094 -0.689 0.000 1.054 54 V CA 0.603 62.627 62.300 -0.459 0.000 0.967 54 V CB 0.048 31.678 31.823 -0.322 0.000 1.036 54 V HN 0.974 nan 8.190 nan 0.000 0.481 55 S N 2.042 117.505 115.700 -0.396 0.000 2.428 55 S HA -0.052 4.418 4.470 -0.000 0.000 0.230 55 S C 0.708 175.206 174.600 -0.170 0.000 1.014 55 S CA 0.709 58.764 58.200 -0.241 0.000 0.957 55 S CB 0.058 63.221 63.200 -0.061 0.000 0.784 55 S HN 0.739 nan 8.310 nan 0.000 0.499 56 D N 1.635 121.922 120.400 -0.188 0.000 2.346 56 D HA 0.308 4.948 4.640 -0.000 0.000 0.255 56 D C -2.243 173.903 176.300 -0.256 0.000 1.276 56 D CA -2.062 51.842 54.000 -0.161 0.000 0.941 56 D CB 1.813 42.552 40.800 -0.102 0.000 1.199 56 D HN 0.021 nan 8.370 nan 0.000 0.537 57 P HA -0.095 nan 4.420 nan 0.000 0.231 57 P C 1.163 178.147 177.300 -0.528 0.000 1.158 57 P CA 0.347 63.011 63.100 -0.727 0.000 0.763 57 P CB 0.637 31.469 31.700 -1.447 0.000 0.805 58 R N -0.190 120.139 120.500 -0.284 0.000 2.062 58 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 58 R C 2.399 178.623 176.300 -0.127 0.000 1.136 58 R CA 1.128 57.133 56.100 -0.158 0.000 0.948 58 R CB -1.244 29.017 30.300 -0.064 0.000 0.845 58 R HN 0.028 nan 8.270 nan 0.000 0.430 59 V N 2.279 122.124 119.914 -0.114 0.000 2.218 59 V HA -0.265 3.855 4.120 -0.000 0.000 0.251 59 V C -0.672 175.391 176.094 -0.052 0.000 1.057 59 V CA 2.471 64.731 62.300 -0.066 0.000 1.022 59 V CB -1.303 30.481 31.823 -0.065 0.000 0.645 59 V HN 0.346 nan 8.190 nan 0.000 0.451 60 P HA -0.155 nan 4.420 nan 0.000 0.218 60 P C 1.978 179.260 177.300 -0.029 0.000 1.149 60 P CA 1.611 64.690 63.100 -0.035 0.000 0.817 60 P CB -0.041 31.614 31.700 -0.076 0.000 0.785 61 L N -0.890 120.239 121.223 -0.157 0.000 2.141 61 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 61 L C 3.076 179.935 176.870 -0.018 0.000 1.094 61 L CA 1.468 56.169 54.840 -0.232 0.000 0.763 61 L CB -0.580 41.130 42.059 -0.583 0.000 0.908 61 L HN 0.016 nan 8.230 nan 0.000 0.437 62 Q N -0.899 118.931 119.800 0.049 0.000 1.994 62 Q HA -0.177 4.163 4.340 -0.000 0.000 0.198 62 Q C 2.082 178.181 176.000 0.165 0.000 0.976 62 Q CA 2.117 58.011 55.803 0.152 0.000 0.828 62 Q CB -0.032 28.769 28.738 0.105 0.000 0.894 62 Q HN 0.385 nan 8.270 nan 0.000 0.432 63 T N 1.475 116.107 114.554 0.130 0.000 2.714 63 T HA -0.270 4.080 4.350 -0.000 0.000 0.268 63 T C 1.586 176.397 174.700 0.185 0.000 1.036 63 T CA 1.671 63.871 62.100 0.167 0.000 1.148 63 T CB -0.236 68.732 68.868 0.166 0.000 0.856 63 T HN 0.324 nan 8.240 nan 0.000 0.462 64 M N 0.704 120.370 119.600 0.111 0.000 2.132 64 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 64 M C 2.342 178.719 176.300 0.129 0.000 1.065 64 M CA 1.540 56.762 55.300 -0.130 0.000 1.122 64 M CB -0.389 32.067 32.600 -0.239 0.000 1.365 64 M HN 0.163 nan 8.290 nan 0.000 0.411 65 S N 1.323 117.171 115.700 0.247 0.000 2.356 65 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 65 S C 1.437 176.291 174.600 0.425 0.000 1.032 65 S CA 1.670 60.095 58.200 0.375 0.000 1.005 65 S CB -0.503 62.959 63.200 0.437 0.000 0.867 65 S HN 0.526 nan 8.310 nan 0.000 0.449 66 N N 1.385 120.347 118.700 0.437 0.000 2.036 66 N HA -0.100 4.640 4.740 -0.000 0.000 0.195 66 N C 1.663 177.362 175.510 0.314 0.000 1.037 66 N CA 1.333 54.657 53.050 0.458 0.000 0.855 66 N CB -0.440 38.251 38.487 0.339 0.000 1.033 66 N HN 0.220 nan 8.380 nan 0.000 0.423 67 M N -0.521 119.258 119.600 0.298 0.000 2.106 67 M HA -0.126 4.354 4.480 -0.000 0.000 0.259 67 M C 1.749 178.149 176.300 0.166 0.000 1.068 67 M CA 1.347 56.836 55.300 0.314 0.000 1.100 67 M CB -0.367 32.505 32.600 0.454 0.000 1.351 67 M HN 0.240 nan 8.290 nan 0.000 0.404 68 F N -0.547 119.368 119.950 -0.059 0.000 2.102 68 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 68 F C 1.864 177.541 175.800 -0.206 0.000 1.105 68 F CA 1.742 59.458 58.000 -0.474 0.000 1.239 68 F CB -0.657 38.258 39.000 -0.141 0.000 0.991 68 F HN -0.061 nan 8.300 nan 0.000 0.474 69 V N -0.498 119.327 119.914 -0.147 0.000 2.287 69 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 69 V C 2.634 178.611 176.094 -0.195 0.000 1.053 69 V CA 2.062 64.203 62.300 -0.266 0.000 1.027 69 V CB -1.284 30.268 31.823 -0.451 0.000 0.646 69 V HN 0.513 nan 8.190 nan 0.000 0.447 70 S N -0.916 114.753 115.700 -0.051 0.000 2.442 70 S HA -0.185 4.285 4.470 -0.000 0.000 0.236 70 S C 1.723 176.288 174.600 -0.057 0.000 1.007 70 S CA 1.844 60.043 58.200 -0.002 0.000 0.965 70 S CB -0.370 62.888 63.200 0.097 0.000 0.773 70 S HN 0.656 nan 8.310 nan 0.000 0.504 71 F N 0.693 120.442 119.950 -0.334 0.000 2.243 71 F HA 0.301 4.828 4.527 -0.000 0.000 0.287 71 F C 1.786 177.310 175.800 -0.460 0.000 1.067 71 F CA 0.480 58.261 58.000 -0.364 0.000 1.304 71 F CB -0.406 38.281 39.000 -0.521 0.000 1.087 71 F HN 0.124 nan 8.300 nan 0.000 0.513 72 I N 1.595 121.770 120.570 -0.657 0.000 2.700 72 I HA -0.208 3.962 4.170 -0.000 0.000 0.261 72 I C 2.099 177.816 176.117 -0.667 0.000 1.219 72 I CA 1.965 62.771 61.300 -0.823 0.000 1.463 72 I CB -1.206 36.195 38.000 -0.998 0.000 1.092 72 I HN 0.470 nan 8.210 nan 0.000 0.452 73 T N -2.745 111.506 114.554 -0.506 0.000 2.852 73 T HA -0.036 4.314 4.350 -0.000 0.000 0.256 73 T C 1.353 175.832 174.700 -0.368 0.000 1.038 73 T CA 0.367 62.217 62.100 -0.417 0.000 1.141 73 T CB -0.554 68.156 68.868 -0.263 0.000 0.869 73 T HN 0.250 nan 8.240 nan 0.000 0.439 74 S N 1.567 117.069 115.700 -0.330 0.000 2.429 74 S HA 0.156 4.626 4.470 -0.000 0.000 0.292 74 S C 1.147 175.551 174.600 -0.326 0.000 1.183 74 S CA -0.377 57.663 58.200 -0.266 0.000 1.088 74 S CB -0.183 62.907 63.200 -0.185 0.000 1.018 74 S HN 0.437 nan 8.310 nan 0.000 0.511 75 T N 4.421 118.814 114.554 -0.268 0.000 2.977 75 T HA -0.084 4.266 4.350 -0.000 0.000 0.271 75 T C 1.168 175.751 174.700 -0.195 0.000 1.105 75 T CA 1.099 63.045 62.100 -0.256 0.000 1.116 75 T CB -0.184 68.565 68.868 -0.199 0.000 0.878 75 T HN 0.641 nan 8.240 nan 0.000 0.509 76 D N 1.026 121.336 120.400 -0.150 0.000 2.178 76 D HA -0.013 4.627 4.640 -0.000 0.000 0.202 76 D C 2.293 178.551 176.300 -0.071 0.000 0.974 76 D CA 0.909 54.858 54.000 -0.086 0.000 0.841 76 D CB 0.065 40.831 40.800 -0.056 0.000 0.953 76 D HN 0.427 nan 8.370 nan 0.000 0.478 77 R N 0.367 120.784 120.500 -0.138 0.000 2.046 77 R HA 0.019 4.359 4.340 -0.000 0.000 0.223 77 R C 2.526 178.717 176.300 -0.183 0.000 1.179 77 R CA 1.169 57.211 56.100 -0.097 0.000 0.952 77 R CB -0.705 29.520 30.300 -0.125 0.000 0.843 77 R HN 0.247 nan 8.270 nan 0.000 0.439 78 C N 0.821 119.680 119.300 -0.734 0.000 2.526 78 C HA 0.243 4.703 4.460 -0.000 0.000 0.286 78 C C 2.155 176.861 174.990 -0.473 0.000 1.416 78 C CA -0.619 57.890 59.018 -0.848 0.000 1.671 78 C CB -1.593 25.319 27.740 -1.380 0.000 1.650 78 C HN 0.559 nan 8.230 nan 0.000 0.590 79 G N 1.390 110.042 108.800 -0.247 0.000 2.446 79 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 79 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 79 G C 1.261 176.074 174.900 -0.144 0.000 1.168 79 G CA 1.239 46.233 45.100 -0.177 0.000 0.771 79 G HN 0.849 nan 8.290 nan 0.000 0.551 80 Y N 0.289 120.545 120.300 -0.073 0.000 2.283 80 Y HA -0.073 4.477 4.550 -0.000 0.000 0.285 80 Y C 2.411 178.256 175.900 -0.093 0.000 1.176 80 Y CA 1.535 59.630 58.100 -0.008 0.000 1.229 80 Y CB -0.360 38.151 38.460 0.084 0.000 0.975 80 Y HN 0.189 nan 8.280 nan 0.000 0.537 81 M N 0.230 119.119 119.600 -1.185 0.000 2.619 81 M HA 0.055 4.535 4.480 -0.000 0.000 0.251 81 M C 0.782 176.706 176.300 -0.628 0.000 1.106 81 M CA 0.884 55.273 55.300 -1.518 0.000 1.086 81 M CB -0.020 31.523 32.600 -1.761 0.000 1.465 81 M HN 0.365 nan 8.290 nan 0.000 0.506 82 L N -0.831 120.197 121.223 -0.326 0.000 2.728 82 L HA 0.197 4.537 4.340 -0.000 0.000 0.238 82 L C 0.674 177.514 176.870 -0.051 0.000 1.143 82 L CA -0.377 54.350 54.840 -0.188 0.000 0.937 82 L CB -0.161 41.756 42.059 -0.236 0.000 1.225 82 L HN 0.078 nan 8.230 nan 0.000 0.507 83 R N 0.815 121.373 120.500 0.096 0.000 2.560 83 R HA 0.109 4.449 4.340 -0.000 0.000 0.270 83 R C 1.123 177.554 176.300 0.219 0.000 1.074 83 R CA -0.143 56.030 56.100 0.122 0.000 1.140 83 R CB 0.942 31.345 30.300 0.171 0.000 1.073 83 R HN -0.007 nan 8.270 nan 0.000 0.527 84 K N 0.486 120.878 120.400 -0.013 0.000 2.057 84 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 84 K C 1.555 178.292 176.600 0.229 0.000 1.049 84 K CA 2.198 58.431 56.287 -0.090 0.000 0.931 84 K CB -0.023 32.290 32.500 -0.311 0.000 0.714 84 K HN 0.730 nan 8.250 nan 0.000 0.440 85 T N -2.002 112.672 114.554 0.199 0.000 2.881 85 T HA -0.188 4.162 4.350 -0.000 0.000 0.270 85 T C 1.552 176.424 174.700 0.287 0.000 1.068 85 T CA 0.941 63.169 62.100 0.215 0.000 1.131 85 T CB -0.558 68.409 68.868 0.164 0.000 0.871 85 T HN 0.511 nan 8.240 nan 0.000 0.479 86 W N 1.032 122.468 121.300 0.227 0.000 2.374 86 W HA 0.063 4.723 4.660 -0.000 0.000 0.288 86 W C 1.549 178.173 176.519 0.175 0.000 1.218 86 W CA 0.336 57.812 57.345 0.219 0.000 1.245 86 W CB -0.423 29.167 29.460 0.216 0.000 1.126 86 W HN 0.277 nan 8.180 nan 0.000 0.545 87 F N 0.580 120.629 119.950 0.166 0.000 2.789 87 F HA 0.099 4.626 4.527 -0.000 0.000 0.300 87 F C 1.695 177.451 175.800 -0.074 0.000 1.132 87 F CA 0.926 58.862 58.000 -0.107 0.000 1.404 87 F CB -0.320 38.654 39.000 -0.043 0.000 1.114 87 F HN -0.206 nan 8.300 nan 0.000 0.584 88 N N -0.441 118.274 118.700 0.025 0.000 2.638 88 N HA 0.052 4.792 4.740 -0.000 0.000 0.220 88 N C 0.449 175.895 175.510 -0.106 0.000 1.031 88 N CA 1.016 54.042 53.050 -0.039 0.000 1.062 88 N CB -0.387 38.153 38.487 0.089 0.000 1.406 88 N HN 0.159 nan 8.380 nan 0.000 0.495 89 S N 0.742 116.415 115.700 -0.045 0.000 2.616 89 S HA 0.335 4.805 4.470 -0.000 0.000 0.277 89 S C -0.255 174.300 174.600 -0.075 0.000 1.234 89 S CA -0.676 57.494 58.200 -0.050 0.000 1.028 89 S CB 1.603 64.805 63.200 0.003 0.000 0.988 89 S HN 0.053 nan 8.310 nan 0.000 0.522 90 D N 1.772 122.135 120.400 -0.062 0.000 3.060 90 D HA 0.141 4.781 4.640 -0.000 0.000 0.245 90 D C -0.502 175.798 176.300 -0.001 0.000 1.274 90 D CA 0.166 54.136 54.000 -0.050 0.000 0.864 90 D CB -0.043 40.727 40.800 -0.050 0.000 1.073 90 D HN 0.474 nan 8.370 nan 0.000 0.473 91 T N 1.413 115.982 114.554 0.026 0.000 2.762 91 T HA 0.091 4.441 4.350 -0.000 0.000 0.303 91 T C 0.586 175.335 174.700 0.083 0.000 0.977 91 T CA -0.838 61.292 62.100 0.050 0.000 0.961 91 T CB 0.673 69.575 68.868 0.058 0.000 0.944 91 T HN 0.187 nan 8.240 nan 0.000 0.481 92 K N 4.417 124.859 120.400 0.070 0.000 2.405 92 K HA 0.069 4.389 4.320 -0.000 0.000 0.276 92 K C -2.180 174.468 176.600 0.079 0.000 1.099 92 K CA -1.000 55.336 56.287 0.082 0.000 1.120 92 K CB -0.289 32.242 32.500 0.052 0.000 0.877 92 K HN 0.257 nan 8.250 nan 0.000 0.472 93 P HA 0.001 nan 4.420 nan 0.000 0.275 93 P C -0.529 176.763 177.300 -0.012 0.000 1.228 93 P CA -0.365 62.770 63.100 0.060 0.000 0.786 93 P CB 0.823 32.568 31.700 0.075 0.000 0.927 94 T N -0.460 114.093 114.554 -0.002 0.000 3.688 94 T HA 0.399 4.749 4.350 -0.000 0.000 0.307 94 T C 0.445 175.123 174.700 -0.037 0.000 1.382 94 T CA -0.599 61.495 62.100 -0.011 0.000 1.136 94 T CB -1.036 67.837 68.868 0.010 0.000 1.207 94 T HN 0.364 nan 8.240 nan 0.000 0.854 95 V N -1.116 118.746 119.914 -0.086 0.000 2.656 95 V HA 0.866 4.986 4.120 -0.000 0.000 0.307 95 V C -0.367 175.703 176.094 -0.040 0.000 1.051 95 V CA -0.938 61.304 62.300 -0.097 0.000 0.893 95 V CB 2.128 33.775 31.823 -0.293 0.000 0.999 95 V HN 0.463 nan 8.190 nan 0.000 0.426 96 S N 3.046 118.754 115.700 0.012 0.000 2.669 96 S HA 0.526 4.996 4.470 -0.000 0.000 0.315 96 S C -1.149 173.502 174.600 0.085 0.000 1.106 96 S CA -0.420 57.803 58.200 0.037 0.000 1.107 96 S CB 0.209 63.427 63.200 0.031 0.000 0.990 96 S HN 1.079 nan 8.310 nan 0.000 0.471 97 D N 3.202 123.673 120.400 0.118 0.000 2.964 97 D HA 0.204 4.844 4.640 -0.000 0.000 0.234 97 D C 0.165 176.573 176.300 0.179 0.000 1.223 97 D CA -0.396 53.720 54.000 0.193 0.000 0.889 97 D CB 1.931 42.930 40.800 0.333 0.000 1.609 97 D HN 0.382 nan 8.370 nan 0.000 0.523 98 D N 2.330 122.840 120.400 0.184 0.000 2.149 98 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 98 D C 1.555 177.975 176.300 0.201 0.000 1.001 98 D CA 1.123 55.222 54.000 0.165 0.000 0.849 98 D CB -0.058 40.847 40.800 0.176 0.000 0.939 98 D HN 0.438 nan 8.370 nan 0.000 0.449 99 F N 1.186 121.207 119.950 0.119 0.000 2.014 99 F HA -0.203 4.324 4.527 -0.000 0.000 0.295 99 F C 2.313 178.129 175.800 0.026 0.000 1.145 99 F CA 0.987 59.041 58.000 0.090 0.000 1.178 99 F CB -0.574 38.364 39.000 -0.103 0.000 0.972 99 F HN -0.201 nan 8.300 nan 0.000 0.476 100 I N 0.642 121.258 120.570 0.076 0.000 2.181 100 I HA -0.398 3.772 4.170 -0.000 0.000 0.247 100 I C 2.391 178.433 176.117 -0.125 0.000 1.081 100 I CA 2.212 63.477 61.300 -0.058 0.000 1.340 100 I CB -1.239 36.830 38.000 0.115 0.000 1.036 100 I HN 0.280 nan 8.210 nan 0.000 0.417 101 T N -0.857 113.660 114.554 -0.061 0.000 2.701 101 T HA -0.145 4.205 4.350 -0.000 0.000 0.263 101 T C 1.874 176.476 174.700 -0.163 0.000 1.040 101 T CA 2.044 64.094 62.100 -0.084 0.000 1.147 101 T CB -0.443 68.403 68.868 -0.037 0.000 0.865 101 T HN 0.360 nan 8.240 nan 0.000 0.426 102 T N 0.453 114.887 114.554 -0.200 0.000 2.867 102 T HA -0.015 4.335 4.350 -0.000 0.000 0.268 102 T C 1.252 175.565 174.700 -0.644 0.000 1.057 102 T CA 1.109 62.974 62.100 -0.392 0.000 1.136 102 T CB -0.228 68.401 68.868 -0.398 0.000 0.874 102 T HN 0.494 nan 8.240 nan 0.000 0.466 103 Y N -0.523 119.500 120.300 -0.462 0.000 2.467 103 Y HA 0.398 4.948 4.550 -0.000 0.000 0.259 103 Y C 0.558 176.203 175.900 -0.425 0.000 1.084 103 Y CA -0.711 57.098 58.100 -0.486 0.000 1.275 103 Y CB 0.752 38.772 38.460 -0.733 0.000 1.208 103 Y HN 0.048 nan 8.280 nan 0.000 0.511 104 I N 2.887 123.259 120.570 -0.331 0.000 2.359 104 I HA 0.466 4.636 4.170 -0.000 0.000 0.294 104 I C -0.119 175.886 176.117 -0.187 0.000 0.987 104 I CA -0.532 60.576 61.300 -0.320 0.000 1.225 104 I CB 1.079 38.750 38.000 -0.549 0.000 1.366 104 I HN 0.292 nan 8.210 nan 0.000 0.466 105 R N 4.621 125.045 120.500 -0.127 0.000 2.829 105 R HA 0.499 4.839 4.340 -0.000 0.000 0.283 105 R C -3.347 172.926 176.300 -0.045 0.000 1.013 105 R CA -1.410 54.645 56.100 -0.074 0.000 0.848 105 R CB 0.458 30.707 30.300 -0.084 0.000 1.291 105 R HN 0.131 nan 8.270 nan 0.000 0.496 106 P HA 0.244 nan 4.420 nan 0.000 0.271 106 P C -0.574 176.707 177.300 -0.031 0.000 1.216 106 P CA -0.417 62.675 63.100 -0.013 0.000 0.776 106 P CB 0.723 32.417 31.700 -0.009 0.000 0.881 107 R N 1.345 121.827 120.500 -0.031 0.000 2.576 107 R HA 0.259 4.599 4.340 -0.000 0.000 0.237 107 R C 0.206 176.473 176.300 -0.054 0.000 0.917 107 R CA -0.246 55.823 56.100 -0.051 0.000 1.002 107 R CB 0.172 30.434 30.300 -0.064 0.000 1.428 107 R HN 0.336 nan 8.270 nan 0.000 0.603 108 L N 2.440 123.637 121.223 -0.043 0.000 2.380 108 L HA 0.185 4.525 4.340 -0.000 0.000 0.273 108 L C 0.401 177.253 176.870 -0.030 0.000 1.138 108 L CA -0.102 54.711 54.840 -0.045 0.000 0.832 108 L CB 0.882 42.923 42.059 -0.031 0.000 1.124 108 L HN 0.123 nan 8.230 nan 0.000 0.454 109 Q N 2.386 122.166 119.800 -0.034 0.000 2.311 109 Q HA 0.237 4.577 4.340 -0.000 0.000 0.272 109 Q C -1.023 174.969 176.000 -0.015 0.000 1.012 109 Q CA -0.080 55.707 55.803 -0.026 0.000 0.891 109 Q CB 1.484 30.204 28.738 -0.030 0.000 1.201 109 Q HN 0.487 nan 8.270 nan 0.000 0.391 110 V N 5.911 125.818 119.914 -0.012 0.000 2.769 110 V HA 0.438 4.558 4.120 -0.000 0.000 0.312 110 V C -1.730 174.359 176.094 -0.008 0.000 1.061 110 V CA -1.378 60.919 62.300 -0.006 0.000 0.931 110 V CB 1.842 33.663 31.823 -0.004 0.000 1.010 110 V HN 0.972 nan 8.190 nan 0.000 0.433 111 P HA 0.017 nan 4.420 nan 0.000 0.239 111 P C 1.426 178.726 177.300 -0.001 0.000 1.188 111 P CA 0.289 63.388 63.100 -0.003 0.000 0.794 111 P CB 0.224 31.922 31.700 -0.004 0.000 0.937 112 M N 1.509 121.107 119.600 -0.004 0.000 2.240 112 M HA -0.257 4.223 4.480 -0.000 0.000 0.250 112 M C 2.050 178.352 176.300 0.002 0.000 1.075 112 M CA 2.131 57.429 55.300 -0.004 0.000 1.072 112 M CB -1.385 31.210 32.600 -0.009 0.000 1.305 112 M HN -0.153 nan 8.290 nan 0.000 0.414 113 S N 0.238 115.941 115.700 0.004 0.000 2.372 113 S HA -0.220 4.250 4.470 -0.000 0.000 0.227 113 S C 1.660 176.279 174.600 0.033 0.000 1.044 113 S CA 1.719 59.929 58.200 0.017 0.000 1.050 113 S CB -0.772 62.439 63.200 0.019 0.000 0.901 113 S HN 0.610 nan 8.310 nan 0.000 0.447 114 D N 0.542 120.959 120.400 0.028 0.000 2.097 114 D HA -0.064 4.576 4.640 -0.000 0.000 0.195 114 D C 2.103 178.411 176.300 0.013 0.000 0.989 114 D CA 1.385 55.401 54.000 0.025 0.000 0.827 114 D CB -0.589 40.219 40.800 0.014 0.000 0.966 114 D HN 0.344 nan 8.370 nan 0.000 0.456 115 T N 1.388 115.945 114.554 0.006 0.000 2.597 115 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 115 T C 2.317 177.016 174.700 -0.001 0.000 1.053 115 T CA 1.302 63.401 62.100 -0.001 0.000 1.165 115 T CB -0.604 68.262 68.868 -0.004 0.000 0.863 115 T HN -0.041 nan 8.240 nan 0.000 0.427 116 V N 1.552 121.469 119.914 0.005 0.000 2.231 116 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 116 V C 2.641 178.742 176.094 0.012 0.000 1.054 116 V CA 2.175 64.480 62.300 0.008 0.000 1.015 116 V CB -0.696 31.136 31.823 0.015 0.000 0.638 116 V HN 0.397 nan 8.190 nan 0.000 0.444 117 R N -0.461 120.056 120.500 0.027 0.000 2.112 117 R HA -0.298 4.042 4.340 -0.000 0.000 0.242 117 R C 2.423 178.727 176.300 0.006 0.000 1.137 117 R CA 2.567 58.688 56.100 0.035 0.000 0.944 117 R CB -0.268 30.064 30.300 0.054 0.000 0.857 117 R HN 0.624 nan 8.270 nan 0.000 0.435 118 Q N 0.046 119.841 119.800 -0.008 0.000 2.046 118 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 118 Q C 2.286 178.249 176.000 -0.063 0.000 0.975 118 Q CA 1.384 57.167 55.803 -0.033 0.000 0.836 118 Q CB -0.072 28.649 28.738 -0.027 0.000 0.896 118 Q HN 0.378 nan 8.270 nan 0.000 0.428 119 L N 0.969 122.165 121.223 -0.045 0.000 2.189 119 L HA -0.265 4.075 4.340 -0.000 0.000 0.214 119 L C 2.107 178.941 176.870 -0.061 0.000 1.097 119 L CA 1.097 55.904 54.840 -0.054 0.000 0.764 119 L CB -0.361 41.680 42.059 -0.031 0.000 0.900 119 L HN 0.363 nan 8.230 nan 0.000 0.436 120 N N 0.206 118.882 118.700 -0.040 0.000 2.142 120 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 120 N C 1.536 177.014 175.510 -0.053 0.000 1.023 120 N CA 1.250 54.284 53.050 -0.028 0.000 0.852 120 N CB -0.042 38.449 38.487 0.006 0.000 0.998 120 N HN 0.187 nan 8.380 nan 0.000 0.424 121 N N 0.354 119.004 118.700 -0.082 0.000 2.247 121 N HA -0.145 4.595 4.740 -0.000 0.000 0.189 121 N C 1.211 176.565 175.510 -0.260 0.000 1.009 121 N CA 0.831 53.808 53.050 -0.122 0.000 0.872 121 N CB -0.220 38.176 38.487 -0.152 0.000 0.980 121 N HN 0.437 nan 8.380 nan 0.000 0.436 122 L N 0.224 121.282 121.223 -0.275 0.000 2.558 122 L HA 0.106 4.446 4.340 -0.000 0.000 0.225 122 L C 0.567 177.373 176.870 -0.106 0.000 1.128 122 L CA -0.076 54.614 54.840 -0.251 0.000 0.868 122 L CB -0.138 41.782 42.059 -0.232 0.000 1.006 122 L HN -0.110 nan 8.230 nan 0.000 0.454 123 S N 0.424 116.084 115.700 -0.067 0.000 2.566 123 S HA 0.043 4.513 4.470 -0.000 0.000 0.280 123 S C 1.411 176.006 174.600 -0.008 0.000 1.343 123 S CA -0.317 57.867 58.200 -0.027 0.000 1.036 123 S CB 1.066 64.260 63.200 -0.009 0.000 0.866 123 S HN 0.187 nan 8.310 nan 0.000 0.526 124 L N 1.413 122.635 121.223 -0.001 0.000 2.027 124 L HA -0.081 4.259 4.340 -0.000 0.000 0.206 124 L C 0.831 177.711 176.870 0.017 0.000 1.074 124 L CA 1.373 56.218 54.840 0.007 0.000 0.745 124 L CB -0.147 41.915 42.059 0.004 0.000 0.898 124 L HN 0.634 nan 8.230 nan 0.000 0.433 125 Q N -0.131 119.680 119.800 0.018 0.000 2.616 125 Q HA 0.333 4.673 4.340 -0.000 0.000 0.250 125 Q C -2.275 173.744 176.000 0.031 0.000 0.991 125 Q CA -1.595 54.224 55.803 0.025 0.000 0.707 125 Q CB 1.550 30.301 28.738 0.021 0.000 1.247 125 Q HN 0.077 nan 8.270 nan 0.000 0.491 126 P HA 0.089 nan 4.420 nan 0.000 0.277 126 P C -0.328 177.007 177.300 0.058 0.000 1.271 126 P CA -0.593 62.538 63.100 0.051 0.000 0.795 126 P CB 0.780 32.518 31.700 0.064 0.000 1.101 127 S N -0.384 115.356 115.700 0.067 0.000 2.549 127 S HA 0.252 4.722 4.470 -0.000 0.000 0.286 127 S C 1.318 175.969 174.600 0.084 0.000 1.314 127 S CA 0.043 58.287 58.200 0.072 0.000 1.062 127 S CB -0.157 63.094 63.200 0.085 0.000 0.865 127 S HN 0.460 nan 8.310 nan 0.000 0.498 128 A N 5.077 127.942 122.820 0.076 0.000 2.066 128 A HA 0.168 4.488 4.320 -0.000 0.000 0.218 128 A C 0.774 178.420 177.584 0.104 0.000 1.157 128 A CA 0.870 52.957 52.037 0.082 0.000 0.670 128 A CB 0.005 19.044 19.000 0.065 0.000 0.804 128 A HN 0.771 nan 8.150 nan 0.000 0.453 129 K N 0.731 121.198 120.400 0.112 0.000 2.701 129 K HA 0.336 4.656 4.320 -0.000 0.000 0.212 129 K C -2.994 173.716 176.600 0.184 0.000 1.035 129 K CA -1.670 54.706 56.287 0.148 0.000 1.048 129 K CB 1.420 33.987 32.500 0.111 0.000 1.234 129 K HN 0.075 nan 8.250 nan 0.000 0.540 130 P HA -0.055 nan 4.420 nan 0.000 0.267 130 P C -0.340 177.130 177.300 0.284 0.000 1.201 130 P CA -0.018 63.209 63.100 0.212 0.000 0.775 130 P CB 0.644 32.457 31.700 0.188 0.000 0.854 131 K N 1.061 121.609 120.400 0.247 0.000 2.156 131 K HA 0.118 4.438 4.320 -0.000 0.000 0.242 131 K C 1.427 178.149 176.600 0.203 0.000 1.033 131 K CA -0.415 56.042 56.287 0.284 0.000 0.878 131 K CB 0.110 32.757 32.500 0.244 0.000 1.057 131 K HN 0.370 nan 8.250 nan 0.000 0.505 132 L N 0.445 121.728 121.223 0.100 0.000 2.109 132 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 132 L C 2.343 179.286 176.870 0.122 0.000 1.086 132 L CA 0.993 55.809 54.840 -0.040 0.000 0.760 132 L CB -0.393 41.559 42.059 -0.178 0.000 0.910 132 L HN 0.640 nan 8.230 nan 0.000 0.437 133 Y N 1.417 121.750 120.300 0.056 0.000 2.133 133 Y HA -0.409 4.141 4.550 -0.000 0.000 0.279 133 Y C 2.568 178.474 175.900 0.009 0.000 1.209 133 Y CA 2.303 60.437 58.100 0.055 0.000 1.152 133 Y CB -0.285 38.210 38.460 0.058 0.000 0.961 133 Y HN 0.281 nan 8.280 nan 0.000 0.512 134 E N -0.348 119.814 120.200 -0.062 0.000 2.051 134 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 134 E C 2.318 178.712 176.600 -0.343 0.000 0.991 134 E CA 1.507 57.781 56.400 -0.211 0.000 0.799 134 E CB -0.123 29.546 29.700 -0.051 0.000 0.748 134 E HN 0.517 nan 8.360 nan 0.000 0.449 135 R N 0.136 120.472 120.500 -0.273 0.000 2.075 135 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 135 R C 2.646 178.651 176.300 -0.491 0.000 1.126 135 R CA 1.737 57.537 56.100 -0.500 0.000 0.963 135 R CB -0.244 29.903 30.300 -0.254 0.000 0.858 135 R HN 0.279 nan 8.270 nan 0.000 0.435 136 Q N 0.331 120.019 119.800 -0.188 0.000 2.096 136 Q HA -0.213 4.127 4.340 -0.000 0.000 0.208 136 Q C 1.776 177.625 176.000 -0.253 0.000 0.993 136 Q CA 1.531 57.294 55.803 -0.068 0.000 0.862 136 Q CB -0.254 28.532 28.738 0.079 0.000 0.915 136 Q HN 0.364 nan 8.270 nan 0.000 0.416 137 N N -0.018 118.445 118.700 -0.395 0.000 2.188 137 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 137 N C 1.643 176.931 175.510 -0.370 0.000 1.018 137 N CA 1.281 54.092 53.050 -0.398 0.000 0.858 137 N CB -0.159 38.036 38.487 -0.487 0.000 0.989 137 N HN 0.248 nan 8.380 nan 0.000 0.426 138 A N 1.188 123.720 122.820 -0.481 0.000 1.897 138 A HA 0.020 4.340 4.320 -0.000 0.000 0.215 138 A C 2.302 179.640 177.584 -0.410 0.000 1.181 138 A CA 0.683 52.419 52.037 -0.502 0.000 0.620 138 A CB -0.498 17.951 19.000 -0.918 0.000 0.821 138 A HN 0.161 nan 8.150 nan 0.000 0.443 139 I N -1.300 118.965 120.570 -0.508 0.000 2.315 139 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 139 I C 2.664 178.702 176.117 -0.132 0.000 1.117 139 I CA 1.740 62.815 61.300 -0.375 0.000 1.404 139 I CB -0.122 37.492 38.000 -0.643 0.000 1.071 139 I HN 0.472 nan 8.210 nan 0.000 0.419 140 M N 0.148 119.627 119.600 -0.202 0.000 2.384 140 M HA -0.055 4.425 4.480 -0.000 0.000 0.258 140 M C 1.921 177.965 176.300 -0.426 0.000 1.130 140 M CA 1.632 56.706 55.300 -0.377 0.000 1.187 140 M CB 0.169 32.537 32.600 -0.386 0.000 1.307 140 M HN -0.148 nan 8.290 nan 0.000 0.468 141 K N -0.250 119.962 120.400 -0.313 0.000 2.393 141 K HA 0.188 4.508 4.320 -0.000 0.000 0.193 141 K C 0.495 176.990 176.600 -0.175 0.000 1.026 141 K CA 0.615 56.754 56.287 -0.247 0.000 1.064 141 K CB 0.367 32.739 32.500 -0.214 0.000 0.833 141 K HN 0.657 nan 8.250 nan 0.000 0.521 142 G N 2.170 110.867 108.800 -0.172 0.000 2.198 142 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.257 142 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.257 142 G C -0.025 174.814 174.900 -0.102 0.000 1.042 142 G CA -0.069 44.962 45.100 -0.115 0.000 0.791 142 G HN 0.123 nan 8.290 nan 0.000 0.502 143 L N -0.280 120.856 121.223 -0.144 0.000 2.466 143 L HA 0.385 4.725 4.340 -0.000 0.000 0.257 143 L C 0.837 177.656 176.870 -0.084 0.000 1.189 143 L CA -0.782 53.991 54.840 -0.112 0.000 0.813 143 L CB 0.330 42.301 42.059 -0.145 0.000 1.118 143 L HN 0.073 nan 8.230 nan 0.000 0.471 144 D N 0.819 121.205 120.400 -0.025 0.000 2.339 144 D HA 0.330 4.970 4.640 -0.000 0.000 0.245 144 D C -0.440 175.875 176.300 0.025 0.000 1.115 144 D CA 0.028 54.049 54.000 0.036 0.000 0.917 144 D CB 1.758 42.631 40.800 0.122 0.000 1.192 144 D HN 0.242 nan 8.370 nan 0.000 0.428 145 I N 1.554 122.169 120.570 0.074 0.000 2.607 145 I HA 0.262 4.432 4.170 -0.000 0.000 0.305 145 I C -2.298 173.922 176.117 0.171 0.000 0.995 145 I CA -2.638 58.710 61.300 0.080 0.000 1.148 145 I CB 2.147 40.217 38.000 0.116 0.000 1.323 145 I HN 0.038 nan 8.210 nan 0.000 0.461 146 P HA -0.084 nan 4.420 nan 0.000 0.260 146 P C -0.291 177.177 177.300 0.280 0.000 1.172 146 P CA 0.360 63.569 63.100 0.182 0.000 0.760 146 P CB 0.119 31.887 31.700 0.112 0.000 0.773 147 Y N 1.526 121.843 120.300 0.027 0.000 2.241 147 Y HA -0.167 4.383 4.550 -0.000 0.000 0.286 147 Y C 1.897 177.810 175.900 0.022 0.000 1.166 147 Y CA 1.745 59.859 58.100 0.024 0.000 1.203 147 Y CB -0.989 37.480 38.460 0.014 0.000 0.977 147 Y HN 0.326 nan 8.280 nan 0.000 0.529 148 S N -1.070 114.740 115.700 0.185 0.000 2.651 148 S HA 0.168 4.638 4.470 -0.000 0.000 0.246 148 S C 0.018 174.671 174.600 0.088 0.000 1.039 148 S CA -0.739 57.525 58.200 0.106 0.000 1.013 148 S CB -0.197 63.050 63.200 0.078 0.000 0.861 148 S HN 0.383 nan 8.310 nan 0.000 0.485 149 E N 3.216 123.479 120.200 0.105 0.000 2.338 149 E HA 0.311 4.661 4.350 -0.000 0.000 0.272 149 E C -2.277 174.381 176.600 0.097 0.000 1.029 149 E CA -1.976 54.484 56.400 0.102 0.000 0.872 149 E CB 0.861 30.633 29.700 0.120 0.000 1.015 149 E HN 0.234 nan 8.360 nan 0.000 0.417 150 P HA 0.307 nan 4.420 nan 0.000 0.278 150 P C -0.718 176.646 177.300 0.107 0.000 1.266 150 P CA -0.360 62.801 63.100 0.101 0.000 0.807 150 P CB 1.246 33.002 31.700 0.093 0.000 1.094 151 I N -1.027 119.611 120.570 0.113 0.000 2.842 151 I HA 0.195 4.365 4.170 -0.000 0.000 0.297 151 I C -1.048 175.108 176.117 0.065 0.000 1.380 151 I CA -0.825 60.522 61.300 0.078 0.000 1.018 151 I CB 2.427 40.442 38.000 0.025 0.000 1.311 151 I HN 0.273 nan 8.210 nan 0.000 0.439 152 E N 7.627 127.844 120.200 0.028 0.000 2.089 152 E HA 0.224 4.574 4.350 -0.000 0.000 0.284 152 E C -2.048 174.533 176.600 -0.031 0.000 1.023 152 E CA -1.573 54.814 56.400 -0.023 0.000 0.819 152 E CB 1.050 30.754 29.700 0.007 0.000 1.076 152 E HN 0.382 nan 8.360 nan 0.000 0.396 153 P HA -0.348 nan 4.420 nan 0.000 0.218 153 P C 1.542 178.941 177.300 0.165 0.000 1.165 153 P CA 1.655 64.776 63.100 0.034 0.000 0.922 153 P CB -0.097 31.504 31.700 -0.164 0.000 0.794 154 C N -0.772 118.584 119.300 0.093 0.000 2.398 154 C HA -0.172 4.288 4.460 -0.000 0.000 0.279 154 C C 2.274 177.324 174.990 0.100 0.000 1.250 154 C CA 0.824 59.894 59.018 0.086 0.000 1.786 154 C CB -1.917 25.896 27.740 0.123 0.000 2.018 154 C HN 0.193 nan 8.230 nan 0.000 0.494 155 K N 0.904 121.369 120.400 0.107 0.000 2.026 155 K HA -0.041 4.279 4.320 -0.000 0.000 0.208 155 K C 2.163 178.896 176.600 0.222 0.000 1.048 155 K CA 1.458 57.833 56.287 0.146 0.000 0.929 155 K CB -0.487 32.102 32.500 0.147 0.000 0.713 155 K HN 0.528 nan 8.250 nan 0.000 0.439 156 L N 0.875 122.184 121.223 0.144 0.000 2.189 156 L HA -0.141 4.199 4.340 -0.000 0.000 0.214 156 L C 0.985 178.052 176.870 0.327 0.000 1.097 156 L CA 0.256 55.214 54.840 0.195 0.000 0.764 156 L CB -0.192 41.965 42.059 0.163 0.000 0.900 156 L HN 0.083 nan 8.230 nan 0.000 0.436 157 F N 1.011 120.922 119.950 -0.064 0.000 2.626 157 F HA 0.060 4.587 4.527 -0.000 0.000 0.354 157 F C 0.665 176.284 175.800 -0.302 0.000 1.168 157 F CA 0.409 58.065 58.000 -0.575 0.000 1.368 157 F CB 0.277 38.783 39.000 -0.824 0.000 1.092 157 F HN -0.081 nan 8.300 nan 0.000 0.612 158 R N 1.917 121.482 120.500 -1.559 0.000 2.752 158 R HA 0.290 4.630 4.340 -0.000 0.000 0.271 158 R C -1.229 174.266 176.300 -1.342 0.000 1.026 158 R CA -1.048 54.496 56.100 -0.927 0.000 0.901 158 R CB 1.570 31.674 30.300 -0.327 0.000 1.243 158 R HN 0.622 nan 8.270 nan 0.000 0.463 159 S N 0.414 115.796 115.700 -0.530 0.000 2.548 159 S HA 0.426 4.896 4.470 -0.000 0.000 0.277 159 S C 0.161 174.680 174.600 -0.136 0.000 1.315 159 S CA -0.594 57.454 58.200 -0.254 0.000 1.050 159 S CB 0.924 64.088 63.200 -0.060 0.000 0.918 159 S HN 0.256 nan 8.310 nan 0.000 0.497 160 V N 1.847 121.755 119.914 -0.011 0.000 2.960 160 V HA 0.542 4.662 4.120 -0.000 0.000 0.315 160 V C 1.219 177.357 176.094 0.073 0.000 1.087 160 V CA -0.620 61.715 62.300 0.059 0.000 0.982 160 V CB 1.526 33.437 31.823 0.146 0.000 1.039 160 V HN 0.958 nan 8.190 nan 0.000 0.437 161 A N 2.289 125.144 122.820 0.057 0.000 1.884 161 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 161 A C 2.152 179.777 177.584 0.068 0.000 1.197 161 A CA 2.702 54.769 52.037 0.050 0.000 0.637 161 A CB -1.351 17.671 19.000 0.037 0.000 0.827 161 A HN 1.265 nan 8.150 nan 0.000 0.450 162 G N -0.116 108.735 108.800 0.086 0.000 2.639 162 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.216 162 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.216 162 G C 0.865 175.838 174.900 0.121 0.000 1.267 162 G CA 1.036 46.197 45.100 0.102 0.000 0.801 162 G HN 0.884 nan 8.290 nan 0.000 0.592 163 Q N -0.689 119.213 119.800 0.170 0.000 2.282 163 Q HA 0.536 4.876 4.340 -0.000 0.000 0.260 163 Q C 0.712 176.824 176.000 0.186 0.000 0.964 163 Q CA -0.014 55.897 55.803 0.179 0.000 0.880 163 Q CB 1.890 30.767 28.738 0.231 0.000 1.286 163 Q HN 0.125 nan 8.270 nan 0.000 0.445 164 T N 1.614 116.251 114.554 0.139 0.000 2.701 164 T HA 0.066 4.416 4.350 -0.000 0.000 0.263 164 T C 0.700 175.516 174.700 0.193 0.000 1.040 164 T CA 1.472 63.647 62.100 0.126 0.000 1.147 164 T CB -0.387 68.528 68.868 0.077 0.000 0.865 164 T HN 0.749 nan 8.240 nan 0.000 0.426 165 G N -0.701 108.209 108.800 0.183 0.000 3.211 165 G HA2 0.488 4.448 3.960 -0.000 0.000 0.262 165 G HA3 0.488 4.448 3.960 -0.000 0.000 0.262 165 G C 0.173 175.048 174.900 -0.042 0.000 1.352 165 G CA 0.035 45.249 45.100 0.191 0.000 1.004 165 G HN 0.349 nan 8.290 nan 0.000 0.559 166 N N -1.790 116.675 118.700 -0.392 0.000 2.905 166 N HA 0.072 4.812 4.740 -0.000 0.000 0.237 166 N C 2.012 177.433 175.510 -0.149 0.000 1.017 166 N CA -0.032 52.663 53.050 -0.593 0.000 1.127 166 N CB 0.096 37.815 38.487 -1.280 0.000 1.608 166 N HN 0.234 nan 8.380 nan 0.000 0.522 167 I N 2.714 123.171 120.570 -0.189 0.000 2.151 167 I HA -0.129 4.041 4.170 -0.000 0.000 0.243 167 I C -0.767 175.312 176.117 -0.062 0.000 1.080 167 I CA 1.524 62.717 61.300 -0.178 0.000 1.339 167 I CB -2.055 35.768 38.000 -0.295 0.000 1.039 167 I HN 0.313 nan 8.210 nan 0.000 0.409 168 P HA -0.167 nan 4.420 nan 0.000 0.218 168 P C 1.808 179.101 177.300 -0.011 0.000 1.149 168 P CA 1.164 64.245 63.100 -0.033 0.000 0.817 168 P CB -0.180 31.504 31.700 -0.026 0.000 0.785 169 M N -1.199 118.392 119.600 -0.015 0.000 2.623 169 M HA -0.091 4.389 4.480 -0.000 0.000 0.258 169 M C 2.065 178.323 176.300 -0.070 0.000 1.067 169 M CA 0.890 56.163 55.300 -0.046 0.000 1.068 169 M CB -1.089 31.468 32.600 -0.071 0.000 1.409 169 M HN 0.050 nan 8.290 nan 0.000 0.504 170 M N -0.534 119.097 119.600 0.051 0.000 2.062 170 M HA -0.106 4.374 4.480 -0.000 0.000 0.259 170 M C 2.040 178.357 176.300 0.028 0.000 1.076 170 M CA 2.239 57.627 55.300 0.147 0.000 1.122 170 M CB -0.738 32.012 32.600 0.250 0.000 1.312 170 M HN 0.281 nan 8.290 nan 0.000 0.412 171 G N 0.776 109.582 108.800 0.009 0.000 2.503 171 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.221 171 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.221 171 G C 1.405 176.284 174.900 -0.035 0.000 1.131 171 G CA 1.475 46.567 45.100 -0.013 0.000 0.756 171 G HN 0.570 nan 8.290 nan 0.000 0.572 172 I N 0.057 120.596 120.570 -0.052 0.000 2.353 172 I HA -0.048 4.122 4.170 -0.000 0.000 0.248 172 I C 2.518 178.566 176.117 -0.115 0.000 1.119 172 I CA 0.515 61.773 61.300 -0.070 0.000 1.417 172 I CB -0.172 37.789 38.000 -0.065 0.000 1.078 172 I HN 0.120 nan 8.210 nan 0.000 0.421 173 L N 0.544 121.666 121.223 -0.168 0.000 2.456 173 L HA -0.145 4.195 4.340 -0.000 0.000 0.224 173 L C 2.613 179.390 176.870 -0.156 0.000 1.148 173 L CA 0.726 55.410 54.840 -0.260 0.000 0.825 173 L CB -0.482 41.347 42.059 -0.382 0.000 0.937 173 L HN 0.238 nan 8.230 nan 0.000 0.450 174 A N -1.011 121.758 122.820 -0.085 0.000 1.878 174 A HA 0.005 4.325 4.320 -0.000 0.000 0.213 174 A C 1.283 178.839 177.584 -0.048 0.000 1.192 174 A CA 0.543 52.551 52.037 -0.048 0.000 0.619 174 A CB -0.462 18.525 19.000 -0.021 0.000 0.837 174 A HN 0.279 nan 8.150 nan 0.000 0.446 175 T N 3.250 117.775 114.554 -0.048 0.000 2.871 175 T HA 0.327 4.677 4.350 -0.000 0.000 0.296 175 T C -2.343 172.331 174.700 -0.043 0.000 0.998 175 T CA -0.469 61.608 62.100 -0.039 0.000 1.162 175 T CB 0.416 69.263 68.868 -0.035 0.000 0.947 175 T HN 0.159 nan 8.240 nan 0.000 0.536 176 P HA 0.132 nan 4.420 nan 0.000 0.269 176 P C -2.206 175.075 177.300 -0.031 0.000 1.217 176 P CA -1.035 62.047 63.100 -0.031 0.000 0.783 176 P CB -0.151 31.536 31.700 -0.021 0.000 0.898 177 P HA 0.142 nan 4.420 nan 0.000 0.282 177 P C -0.168 177.125 177.300 -0.012 0.000 1.249 177 P CA -0.220 62.865 63.100 -0.024 0.000 0.806 177 P CB 1.272 32.957 31.700 -0.025 0.000 0.984 178 A N 2.972 125.787 122.820 -0.008 0.000 1.840 178 A HA 0.354 4.674 4.320 -0.000 0.000 0.214 178 A C 1.078 178.664 177.584 0.002 0.000 1.198 178 A CA 1.822 53.858 52.037 -0.002 0.000 0.608 178 A CB -0.918 18.082 19.000 -0.000 0.000 0.839 178 A HN 0.808 nan 8.150 nan 0.000 0.443 179 A N -2.240 120.583 122.820 0.005 0.000 2.610 179 A HA 0.535 4.855 4.320 -0.000 0.000 0.291 179 A C -0.456 177.137 177.584 0.016 0.000 1.086 179 A CA -0.347 51.697 52.037 0.012 0.000 0.677 179 A CB 0.168 19.177 19.000 0.015 0.000 1.278 179 A HN 0.282 nan 8.150 nan 0.000 0.414 180 Q N 1.017 120.831 119.800 0.024 0.000 3.163 180 Q HA -0.111 4.229 4.340 -0.000 0.000 0.351 180 Q C 0.129 176.148 176.000 0.032 0.000 1.102 180 Q CA 0.952 56.774 55.803 0.032 0.000 1.201 180 Q CB -0.043 28.725 28.738 0.050 0.000 0.958 180 Q HN 0.664 nan 8.270 nan 0.000 0.419 181 Q N 1.983 121.800 119.800 0.029 0.000 2.247 181 Q HA 0.170 4.510 4.340 -0.000 0.000 0.184 181 Q C -0.317 175.716 176.000 0.054 0.000 1.067 181 Q CA -0.374 55.452 55.803 0.038 0.000 1.115 181 Q CB 0.703 29.461 28.738 0.034 0.000 1.147 181 Q HN 0.590 nan 8.270 nan 0.000 0.599 182 Q N 0.573 120.413 119.800 0.067 0.000 2.260 182 Q HA 0.318 4.658 4.340 -0.000 0.000 0.242 182 Q C -2.223 173.854 176.000 0.127 0.000 0.932 182 Q CA -1.904 53.943 55.803 0.073 0.000 0.891 182 Q CB 0.239 29.017 28.738 0.067 0.000 1.222 182 Q HN 0.316 nan 8.270 nan 0.000 0.453 183 P HA -0.090 nan 4.420 nan 0.000 0.266 183 P C -1.204 176.257 177.300 0.268 0.000 1.193 183 P CA 0.409 63.596 63.100 0.145 0.000 0.770 183 P CB 0.235 31.957 31.700 0.038 0.000 0.836 184 F N 0.178 120.260 119.950 0.220 0.000 2.561 184 F HA 0.766 5.293 4.527 -0.000 0.000 0.321 184 F C -1.224 174.775 175.800 0.332 0.000 1.065 184 F CA -1.284 56.839 58.000 0.204 0.000 0.934 184 F CB 1.394 40.417 39.000 0.039 0.000 1.215 184 F HN 0.096 nan 8.300 nan 0.000 0.471 185 F N 3.544 123.670 119.950 0.294 0.000 2.828 185 F HA 0.581 5.108 4.527 -0.000 0.000 0.355 185 F C -0.931 175.124 175.800 0.424 0.000 1.200 185 F CA -0.806 57.379 58.000 0.309 0.000 1.062 185 F CB 1.567 40.774 39.000 0.345 0.000 1.351 185 F HN 0.649 nan 8.300 nan 0.000 0.504 186 V N 1.359 121.471 119.914 0.330 0.000 3.019 186 V HA 1.024 5.144 4.120 -0.000 0.000 0.317 186 V C -0.682 175.647 176.094 0.392 0.000 1.094 186 V CA -0.951 61.487 62.300 0.232 0.000 1.000 186 V CB 1.529 33.167 31.823 -0.309 0.000 1.060 186 V HN 0.806 nan 8.190 nan 0.000 0.443 187 A N 1.282 124.359 122.820 0.429 0.000 2.398 187 A HA 0.783 5.103 4.320 -0.000 0.000 0.301 187 A C -0.454 177.311 177.584 0.303 0.000 1.041 187 A CA -0.664 51.593 52.037 0.367 0.000 0.711 187 A CB 1.420 20.671 19.000 0.418 0.000 1.240 187 A HN 0.951 nan 8.150 nan 0.000 0.420 188 E N 0.427 120.660 120.200 0.054 0.000 3.262 188 E HA 0.371 4.721 4.350 -0.000 0.000 0.257 188 E C 0.839 177.285 176.600 -0.257 0.000 1.195 188 E CA -0.833 55.355 56.400 -0.354 0.000 1.160 188 E CB 0.682 29.997 29.700 -0.642 0.000 1.416 188 E HN 0.624 nan 8.360 nan 0.000 0.630 189 R N 0.350 120.628 120.500 -0.369 0.000 2.055 189 R HA 0.028 4.368 4.340 -0.000 0.000 0.226 189 R C 1.932 178.122 176.300 -0.184 0.000 1.135 189 R CA 0.999 56.989 56.100 -0.184 0.000 0.959 189 R CB 0.041 30.253 30.300 -0.147 0.000 0.854 189 R HN 0.219 nan 8.270 nan 0.000 0.431 190 R N 0.642 121.028 120.500 -0.190 0.000 2.468 190 R HA 0.095 4.435 4.340 -0.000 0.000 0.280 190 R C -0.680 175.553 176.300 -0.112 0.000 0.963 190 R CA -0.051 55.982 56.100 -0.112 0.000 1.083 190 R CB 0.390 30.676 30.300 -0.023 0.000 1.200 190 R HN 0.093 nan 8.270 nan 0.000 0.541 191 R N -1.083 119.275 120.500 -0.237 0.000 2.664 191 R HA 0.280 4.620 4.340 -0.000 0.000 0.266 191 R C -1.711 174.506 176.300 -0.139 0.000 1.046 191 R CA -0.919 55.100 56.100 -0.134 0.000 0.885 191 R CB 0.545 30.858 30.300 0.021 0.000 1.254 191 R HN -0.117 nan 8.270 nan 0.000 0.465 192 I N 2.024 122.610 120.570 0.026 0.000 2.428 192 I HA 0.441 4.611 4.170 -0.000 0.000 0.296 192 I C -0.862 175.263 176.117 0.015 0.000 0.985 192 I CA -1.081 60.283 61.300 0.107 0.000 1.260 192 I CB 1.598 39.791 38.000 0.322 0.000 1.389 192 I HN 0.532 nan 8.210 nan 0.000 0.484 193 L N 7.748 128.942 121.223 -0.048 0.000 2.410 193 L HA 0.583 4.923 4.340 -0.000 0.000 0.270 193 L C -1.244 175.389 176.870 -0.395 0.000 0.983 193 L CA -0.716 54.023 54.840 -0.168 0.000 0.822 193 L CB 1.575 43.650 42.059 0.028 0.000 1.285 193 L HN 0.570 nan 8.230 nan 0.000 0.409 194 F N 1.069 120.610 119.950 -0.682 0.000 2.645 194 F HA 0.997 5.524 4.527 -0.000 0.000 0.310 194 F C -0.214 175.036 175.800 -0.917 0.000 1.102 194 F CA -0.621 56.771 58.000 -1.013 0.000 0.952 194 F CB 1.963 40.287 39.000 -1.126 0.000 1.326 194 F HN 0.558 nan 8.300 nan 0.000 0.456 195 G N 0.927 109.150 108.800 -0.961 0.000 2.324 195 G HA2 0.449 4.409 3.960 -0.000 0.000 0.293 195 G HA3 0.449 4.409 3.960 -0.000 0.000 0.293 195 G C -2.422 172.198 174.900 -0.466 0.000 1.297 195 G CA -0.781 43.941 45.100 -0.630 0.000 0.853 195 G HN 0.912 nan 8.290 nan 0.000 0.535 196 I N 0.531 120.694 120.570 -0.677 0.000 2.447 196 I HA 0.471 4.641 4.170 -0.000 0.000 0.287 196 I C 0.198 176.175 176.117 -0.233 0.000 1.023 196 I CA -0.758 60.371 61.300 -0.285 0.000 1.083 196 I CB 2.128 39.965 38.000 -0.271 0.000 1.245 196 I HN 0.255 nan 8.210 nan 0.000 0.434 197 R N 3.340 123.850 120.500 0.016 0.000 2.349 197 R HA 0.696 5.036 4.340 -0.000 0.000 0.299 197 R C -0.457 175.827 176.300 -0.026 0.000 1.027 197 R CA -0.341 55.739 56.100 -0.034 0.000 0.958 197 R CB 1.888 32.150 30.300 -0.063 0.000 1.047 197 R HN 0.668 nan 8.270 nan 0.000 0.468 198 S N 0.422 116.107 115.700 -0.024 0.000 2.547 198 S HA 0.119 4.589 4.470 -0.000 0.000 0.270 198 S C -0.016 174.584 174.600 -0.001 0.000 1.150 198 S CA -0.878 57.321 58.200 -0.002 0.000 0.850 198 S CB 0.998 64.210 63.200 0.019 0.000 1.118 198 S HN 0.789 nan 8.310 nan 0.000 0.461 199 N N 2.157 120.859 118.700 0.003 0.000 2.424 199 N HA 0.222 4.962 4.740 -0.000 0.000 0.178 199 N C 0.264 175.780 175.510 0.009 0.000 1.060 199 N CA 0.488 53.539 53.050 0.002 0.000 0.901 199 N CB -0.170 38.317 38.487 0.001 0.000 0.979 199 N HN 0.603 nan 8.380 nan 0.000 0.451 200 A N 0.191 123.022 122.820 0.018 0.000 2.337 200 A HA 0.804 5.124 4.320 -0.000 0.000 0.329 200 A C -0.048 177.556 177.584 0.034 0.000 1.146 200 A CA -0.564 51.488 52.037 0.024 0.000 0.800 200 A CB 0.976 19.992 19.000 0.027 0.000 1.220 200 A HN 0.386 nan 8.150 nan 0.000 0.472 201 A N 1.662 124.502 122.820 0.034 0.000 2.565 201 A HA 0.445 4.765 4.320 -0.000 0.000 0.237 201 A C 0.311 177.935 177.584 0.068 0.000 1.053 201 A CA 0.399 52.462 52.037 0.043 0.000 0.755 201 A CB -0.603 18.417 19.000 0.033 0.000 0.980 201 A HN 1.449 nan 8.150 nan 0.000 0.506 202 I N 1.051 121.676 120.570 0.091 0.000 2.406 202 I HA 0.519 4.689 4.170 -0.000 0.000 0.290 202 I C -2.290 173.921 176.117 0.157 0.000 0.999 202 I CA -2.564 58.821 61.300 0.142 0.000 1.124 202 I CB 1.774 39.879 38.000 0.176 0.000 1.289 202 I HN 0.448 nan 8.210 nan 0.000 0.441 203 P HA -0.113 nan 4.420 nan 0.000 0.271 203 P C -0.265 177.172 177.300 0.229 0.000 1.197 203 P CA 0.066 63.273 63.100 0.178 0.000 0.777 203 P CB 0.491 32.289 31.700 0.164 0.000 0.827 204 A N 1.417 124.328 122.820 0.152 0.000 2.320 204 A HA 0.667 4.987 4.320 -0.000 0.000 0.287 204 A C 0.671 178.364 177.584 0.181 0.000 1.181 204 A CA 0.562 52.685 52.037 0.144 0.000 0.831 204 A CB -0.091 18.953 19.000 0.074 0.000 1.102 204 A HN 0.898 nan 8.150 nan 0.000 0.513 205 G N -0.155 108.804 108.800 0.265 0.000 2.333 205 G HA2 0.612 4.572 3.960 -0.000 0.000 0.288 205 G HA3 0.612 4.572 3.960 -0.000 0.000 0.288 205 G C -0.490 174.550 174.900 0.234 0.000 1.286 205 G CA -0.038 45.164 45.100 0.171 0.000 0.865 205 G HN 1.744 nan 8.290 nan 0.000 0.506 206 A N -0.765 122.081 122.820 0.043 0.000 2.363 206 A HA 0.749 5.069 4.320 -0.000 0.000 0.270 206 A C -1.307 176.221 177.584 -0.095 0.000 1.121 206 A CA 0.067 52.147 52.037 0.070 0.000 0.800 206 A CB 0.114 19.122 19.000 0.013 0.000 1.052 206 A HN 1.010 nan 8.150 nan 0.000 0.493 207 Y N 0.402 120.784 120.300 0.137 0.000 2.386 207 Y HA 0.432 4.982 4.550 -0.000 0.000 0.334 207 Y C 0.085 176.100 175.900 0.192 0.000 1.002 207 Y CA -0.500 57.692 58.100 0.154 0.000 1.068 207 Y CB 2.163 40.786 38.460 0.271 0.000 1.203 207 Y HN 0.758 nan 8.280 nan 0.000 0.443 208 Q N 2.308 122.198 119.800 0.149 0.000 2.256 208 Q HA 0.586 4.926 4.340 -0.000 0.000 0.254 208 Q C -1.755 174.233 176.000 -0.020 0.000 0.916 208 Q CA -0.200 55.676 55.803 0.122 0.000 0.932 208 Q CB 0.749 29.506 28.738 0.032 0.000 1.207 208 Q HN 0.500 nan 8.270 nan 0.000 0.426 209 F N 1.660 121.639 119.950 0.048 0.000 2.507 209 F HA 0.442 4.969 4.527 -0.000 0.000 0.325 209 F C -0.553 175.214 175.800 -0.055 0.000 1.116 209 F CA -0.963 57.043 58.000 0.010 0.000 0.930 209 F CB 1.550 40.514 39.000 -0.061 0.000 1.146 209 F HN 0.168 nan 8.300 nan 0.000 0.447 210 V N 4.731 124.690 119.914 0.074 0.000 2.364 210 V HA 0.235 4.355 4.120 -0.000 0.000 0.272 210 V C -0.151 175.845 176.094 -0.164 0.000 1.036 210 V CA -0.780 61.497 62.300 -0.038 0.000 0.880 210 V CB 1.388 33.182 31.823 -0.048 0.000 0.991 210 V HN 0.581 nan 8.190 nan 0.000 0.460 211 V N 9.160 128.919 119.914 -0.259 0.000 2.637 211 V HA 0.327 4.447 4.120 -0.000 0.000 0.296 211 V C -1.826 173.936 176.094 -0.553 0.000 1.046 211 V CA -1.328 60.627 62.300 -0.576 0.000 1.066 211 V CB 1.588 33.169 31.823 -0.403 0.000 0.968 211 V HN 0.789 nan 8.190 nan 0.000 0.483 212 P HA 0.209 nan 4.420 nan 0.000 0.271 212 P C 0.398 177.399 177.300 -0.499 0.000 1.233 212 P CA 0.312 63.079 63.100 -0.555 0.000 0.789 212 P CB 0.628 31.948 31.700 -0.634 0.000 0.951 213 A N 2.064 124.742 122.820 -0.236 0.000 1.933 213 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 213 A C 1.811 179.335 177.584 -0.100 0.000 1.175 213 A CA 1.532 53.497 52.037 -0.120 0.000 0.628 213 A CB -1.503 17.492 19.000 -0.008 0.000 0.814 213 A HN 0.838 nan 8.150 nan 0.000 0.444 214 W N -1.486 119.769 121.300 -0.074 0.000 2.518 214 W HA 0.308 4.968 4.660 -0.000 0.000 0.273 214 W C 1.504 178.046 176.519 0.039 0.000 1.247 214 W CA 0.894 58.224 57.345 -0.024 0.000 1.288 214 W CB -0.739 28.674 29.460 -0.077 0.000 1.107 214 W HN 0.377 nan 8.180 nan 0.000 0.586 215 A N 1.184 123.410 122.820 -0.990 0.000 2.308 215 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 215 A C 1.926 179.296 177.584 -0.356 0.000 1.216 215 A CA 0.818 52.382 52.037 -0.789 0.000 0.864 215 A CB -0.791 17.379 19.000 -1.384 0.000 0.902 215 A HN 0.237 nan 8.150 nan 0.000 0.499 216 S N -0.636 114.883 115.700 -0.303 0.000 2.650 216 S HA 0.080 4.550 4.470 -0.000 0.000 0.219 216 S C 1.052 175.606 174.600 -0.077 0.000 0.960 216 S CA 0.834 58.933 58.200 -0.169 0.000 0.925 216 S CB -0.235 62.870 63.200 -0.158 0.000 0.775 216 S HN 0.181 nan 8.310 nan 0.000 0.525 217 V N 0.708 120.594 119.914 -0.047 0.000 3.431 217 V HA 0.307 4.427 4.120 -0.000 0.000 0.253 217 V C 1.106 177.210 176.094 0.017 0.000 1.184 217 V CA 0.112 62.413 62.300 0.000 0.000 1.104 217 V CB -0.476 31.372 31.823 0.040 0.000 0.799 217 V HN 0.460 nan 8.190 nan 0.000 0.462 218 L N 0.734 121.983 121.223 0.044 0.000 2.476 218 L HA 0.367 4.707 4.340 -0.000 0.000 0.264 218 L C 0.339 177.218 176.870 0.016 0.000 1.224 218 L CA 0.746 55.642 54.840 0.093 0.000 0.821 218 L CB 0.800 42.999 42.059 0.234 0.000 1.101 218 L HN 0.289 nan 8.230 nan 0.000 0.488 219 S N 0.853 116.518 115.700 -0.058 0.000 2.543 219 S HA 0.652 5.122 4.470 -0.000 0.000 0.273 219 S C -1.101 173.271 174.600 -0.380 0.000 1.152 219 S CA -0.706 57.390 58.200 -0.173 0.000 0.910 219 S CB 1.509 64.643 63.200 -0.110 0.000 1.105 219 S HN 0.486 nan 8.310 nan 0.000 0.465 220 V N 1.306 120.859 119.914 -0.603 0.000 2.914 220 V HA 1.017 5.137 4.120 -0.000 0.000 0.314 220 V C -0.207 175.551 176.094 -0.560 0.000 1.084 220 V CA -0.287 61.556 62.300 -0.762 0.000 0.963 220 V CB 1.273 32.381 31.823 -1.192 0.000 1.025 220 V HN 1.173 nan 8.190 nan 0.000 0.432 221 T N -1.792 112.518 114.554 -0.407 0.000 2.896 221 T HA 0.711 5.061 4.350 -0.000 0.000 0.297 221 T C 0.557 175.115 174.700 -0.237 0.000 1.108 221 T CA -0.034 61.906 62.100 -0.266 0.000 1.004 221 T CB 1.187 69.955 68.868 -0.167 0.000 1.159 221 T HN 2.681 nan 8.240 nan 0.000 0.499 222 G N 0.428 109.111 108.800 -0.196 0.000 2.372 222 G HA2 0.299 4.259 3.960 -0.000 0.000 0.297 222 G HA3 0.299 4.259 3.960 -0.000 0.000 0.297 222 G C 0.168 174.902 174.900 -0.275 0.000 1.005 222 G CA 0.039 45.008 45.100 -0.217 0.000 1.173 222 G HN 1.510 nan 8.290 nan 0.000 0.511 223 A N 0.613 123.279 122.820 -0.257 0.000 2.365 223 A HA 0.838 5.158 4.320 -0.000 0.000 0.318 223 A C -0.606 176.939 177.584 -0.065 0.000 1.091 223 A CA -0.794 51.138 52.037 -0.175 0.000 0.763 223 A CB 1.275 20.170 19.000 -0.174 0.000 1.248 223 A HN 0.625 nan 8.150 nan 0.000 0.442 224 Y N 1.236 121.622 120.300 0.143 0.000 2.328 224 Y HA 0.489 5.039 4.550 -0.000 0.000 0.337 224 Y C -0.167 175.889 175.900 0.260 0.000 0.966 224 Y CA -0.857 57.364 58.100 0.202 0.000 1.136 224 Y CB 2.164 40.748 38.460 0.207 0.000 1.170 224 Y HN 0.402 nan 8.280 nan 0.000 0.470 225 V N 5.484 125.628 119.914 0.383 0.000 2.417 225 V HA 0.431 4.551 4.120 -0.000 0.000 0.291 225 V C -0.860 175.289 176.094 0.092 0.000 1.024 225 V CA -0.860 61.524 62.300 0.140 0.000 0.861 225 V CB 0.691 32.584 31.823 0.118 0.000 0.985 225 V HN 0.714 nan 8.190 nan 0.000 0.436 226 Y N 2.093 122.296 120.300 -0.161 0.000 2.744 226 Y HA 0.749 5.299 4.550 -0.000 0.000 0.330 226 Y C -1.378 174.322 175.900 -0.334 0.000 1.263 226 Y CA -2.216 55.739 58.100 -0.242 0.000 1.065 226 Y CB 1.126 39.540 38.460 -0.077 0.000 1.306 226 Y HN 0.338 nan 8.280 nan 0.000 0.459 227 F N 1.324 121.364 119.950 0.150 0.000 2.404 227 F HA 0.581 5.108 4.527 -0.000 0.000 0.358 227 F C 0.596 176.492 175.800 0.160 0.000 1.120 227 F CA -0.132 57.902 58.000 0.058 0.000 1.144 227 F CB 1.606 40.642 39.000 0.060 0.000 1.133 227 F HN 0.708 nan 8.300 nan 0.000 0.495 228 T N 1.440 116.147 114.554 0.254 0.000 2.831 228 T HA 0.396 4.746 4.350 -0.000 0.000 0.287 228 T C -0.392 174.399 174.700 0.152 0.000 1.070 228 T CA -0.760 61.481 62.100 0.236 0.000 1.010 228 T CB 1.199 70.230 68.868 0.271 0.000 1.264 228 T HN 0.644 nan 8.240 nan 0.000 0.532 229 N N 0.194 118.970 118.700 0.126 0.000 2.466 229 N HA 0.335 5.075 4.740 -0.000 0.000 0.272 229 N C -0.890 174.671 175.510 0.085 0.000 1.455 229 N CA -0.637 52.464 53.050 0.085 0.000 0.875 229 N CB 0.939 39.464 38.487 0.063 0.000 1.372 229 N HN 0.330 nan 8.380 nan 0.000 0.492 230 S N 0.103 115.873 115.700 0.116 0.000 2.548 230 S HA 0.710 5.180 4.470 -0.000 0.000 0.286 230 S C -2.080 172.654 174.600 0.224 0.000 1.098 230 S CA -0.691 57.590 58.200 0.134 0.000 0.930 230 S CB 0.796 64.057 63.200 0.102 0.000 1.070 230 S HN 0.269 nan 8.310 nan 0.000 0.480 231 F N 5.053 125.031 119.950 0.047 0.000 2.659 231 F HA 0.561 5.088 4.527 -0.000 0.000 0.342 231 F C -0.546 175.382 175.800 0.214 0.000 1.168 231 F CA -1.226 56.832 58.000 0.096 0.000 1.003 231 F CB 0.146 39.197 39.000 0.084 0.000 1.267 231 F HN 0.777 nan 8.300 nan 0.000 0.463 232 F N 4.298 124.019 119.950 -0.382 0.000 3.057 232 F HA -0.158 4.369 4.527 -0.000 0.000 0.287 232 F C 1.434 177.128 175.800 -0.178 0.000 0.834 232 F CA 1.536 59.307 58.000 -0.381 0.000 1.147 232 F CB -1.038 37.593 39.000 -0.615 0.000 1.245 232 F HN 1.034 nan 8.300 nan 0.000 0.509 233 G N -1.334 107.477 108.800 0.018 0.000 2.234 233 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.235 233 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.235 233 G C 0.293 175.223 174.900 0.051 0.000 0.997 233 G CA 0.098 45.216 45.100 0.031 0.000 0.623 233 G HN 0.560 nan 8.290 nan 0.000 0.514 234 T N 2.933 117.533 114.554 0.076 0.000 2.897 234 T HA 0.556 4.906 4.350 -0.000 0.000 0.294 234 T C 0.747 175.500 174.700 0.088 0.000 1.004 234 T CA -0.232 61.914 62.100 0.076 0.000 1.106 234 T CB 1.334 70.256 68.868 0.090 0.000 0.949 234 T HN 0.205 nan 8.240 nan 0.000 0.520 235 I N 3.258 123.861 120.570 0.055 0.000 2.496 235 I HA 0.219 4.389 4.170 -0.000 0.000 0.285 235 I C 0.474 176.607 176.117 0.027 0.000 1.080 235 I CA -0.306 61.020 61.300 0.042 0.000 1.404 235 I CB 0.295 38.309 38.000 0.024 0.000 1.403 235 I HN 0.536 nan 8.210 nan 0.000 0.539 236 I N 5.497 126.076 120.570 0.015 0.000 2.331 236 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 236 I C 0.427 176.518 176.117 -0.044 0.000 0.998 236 I CA -0.402 60.872 61.300 -0.042 0.000 1.267 236 I CB 1.489 39.442 38.000 -0.078 0.000 1.386 236 I HN 0.624 nan 8.210 nan 0.000 0.476 237 A N 4.176 126.959 122.820 -0.062 0.000 2.325 237 A HA 0.773 5.093 4.320 -0.000 0.000 0.333 237 A C 0.655 178.201 177.584 -0.063 0.000 1.155 237 A CA 0.036 52.045 52.037 -0.047 0.000 0.814 237 A CB 1.191 20.169 19.000 -0.036 0.000 1.206 237 A HN 1.113 nan 8.150 nan 0.000 0.482 238 G N -0.488 108.286 108.800 -0.043 0.000 2.141 238 G HA2 0.120 4.080 3.960 -0.000 0.000 0.195 238 G HA3 0.120 4.080 3.960 -0.000 0.000 0.195 238 G C -0.304 174.571 174.900 -0.042 0.000 1.012 238 G CA 0.067 45.141 45.100 -0.043 0.000 0.696 238 G HN 1.658 nan 8.290 nan 0.000 0.508 239 V N -0.055 119.842 119.914 -0.028 0.000 3.077 239 V HA 0.824 4.944 4.120 -0.000 0.000 0.299 239 V C 0.107 176.199 176.094 -0.002 0.000 1.276 239 V CA -0.178 62.115 62.300 -0.012 0.000 0.993 239 V CB 2.309 34.132 31.823 -0.000 0.000 1.076 239 V HN 1.031 nan 8.190 nan 0.000 0.434 240 T N 0.220 114.769 114.554 -0.007 0.000 2.887 240 T HA 0.792 5.141 4.350 -0.000 0.000 0.288 240 T C 0.212 174.889 174.700 -0.038 0.000 1.021 240 T CA -0.021 62.066 62.100 -0.022 0.000 1.000 240 T CB 2.157 71.002 68.868 -0.039 0.000 1.034 240 T HN 1.112 nan 8.240 nan 0.000 0.467 241 A N 1.728 124.543 122.820 -0.008 0.000 2.503 241 A HA 0.467 4.787 4.320 -0.000 0.000 0.263 241 A C 0.967 178.552 177.584 0.001 0.000 1.258 241 A CA -0.481 51.570 52.037 0.025 0.000 0.936 241 A CB -0.319 18.735 19.000 0.090 0.000 1.070 241 A HN 0.819 nan 8.150 nan 0.000 0.522 242 T N 1.215 115.748 114.554 -0.036 0.000 2.856 242 T HA 0.555 4.905 4.350 -0.000 0.000 0.306 242 T C 0.262 174.935 174.700 -0.044 0.000 1.062 242 T CA 0.822 62.904 62.100 -0.029 0.000 1.083 242 T CB 1.170 70.019 68.868 -0.031 0.000 0.984 242 T HN 1.213 nan 8.240 nan 0.000 0.542 243 A N 0.988 123.797 122.820 -0.018 0.000 2.452 243 A HA 0.670 4.990 4.320 -0.000 0.000 0.294 243 A C -0.799 176.787 177.584 0.004 0.000 1.010 243 A CA -0.927 51.104 52.037 -0.009 0.000 0.613 243 A CB 0.960 19.971 19.000 0.020 0.000 1.363 243 A HN 0.739 nan 8.150 nan 0.000 0.463 244 T N -0.027 114.533 114.554 0.010 0.000 2.889 244 T HA 0.590 4.940 4.350 -0.000 0.000 0.315 244 T C 1.080 175.790 174.700 0.016 0.000 1.291 244 T CA 0.166 62.273 62.100 0.011 0.000 1.028 244 T CB 1.671 70.542 68.868 0.005 0.000 1.235 244 T HN 1.998 nan 8.240 nan 0.000 0.491 245 A N 0.933 123.762 122.820 0.014 0.000 2.148 245 A HA 0.055 4.375 4.320 -0.000 0.000 0.222 245 A C 2.168 179.762 177.584 0.016 0.000 1.161 245 A CA 2.167 54.214 52.037 0.016 0.000 0.662 245 A CB -0.749 18.258 19.000 0.011 0.000 0.799 245 A HN 0.945 nan 8.150 nan 0.000 0.466 246 A N -0.381 122.448 122.820 0.014 0.000 1.984 246 A HA 0.192 4.512 4.320 -0.000 0.000 0.214 246 A C 0.483 178.077 177.584 0.017 0.000 1.173 246 A CA 0.341 52.386 52.037 0.014 0.000 0.673 246 A CB -0.299 18.707 19.000 0.010 0.000 0.830 246 A HN 0.437 nan 8.150 nan 0.000 0.453 247 D N 0.964 121.375 120.400 0.018 0.000 2.601 247 D HA 0.324 4.964 4.640 -0.000 0.000 0.229 247 D C 0.489 176.806 176.300 0.029 0.000 1.140 247 D CA 1.119 55.132 54.000 0.020 0.000 0.862 247 D CB 0.462 41.275 40.800 0.022 0.000 1.192 247 D HN 0.470 nan 8.370 nan 0.000 0.480 248 A N 1.762 124.600 122.820 0.029 0.000 2.386 248 A HA 0.558 4.878 4.320 -0.000 0.000 0.248 248 A C 0.403 178.016 177.584 0.047 0.000 1.082 248 A CA -0.257 51.800 52.037 0.033 0.000 0.789 248 A CB 0.311 19.329 19.000 0.030 0.000 1.025 248 A HN 0.680 nan 8.150 nan 0.000 0.490 249 A N 1.188 124.036 122.820 0.047 0.000 2.531 249 A HA 0.455 4.775 4.320 -0.000 0.000 0.236 249 A C 0.515 178.142 177.584 0.071 0.000 1.062 249 A CA 0.621 52.692 52.037 0.058 0.000 0.760 249 A CB -0.377 18.648 19.000 0.043 0.000 0.995 249 A HN 0.846 nan 8.150 nan 0.000 0.501 250 T N 2.744 117.356 114.554 0.097 0.000 3.053 250 T HA 0.463 4.813 4.350 -0.000 0.000 0.363 250 T C 0.308 175.070 174.700 0.103 0.000 1.239 250 T CA 0.094 62.263 62.100 0.116 0.000 1.071 250 T CB 0.088 69.083 68.868 0.211 0.000 1.089 250 T HN 0.933 nan 8.240 nan 0.000 0.527 251 T N 0.780 115.387 114.554 0.088 0.000 2.934 251 T HA 0.823 5.173 4.350 -0.000 0.000 0.283 251 T C -0.416 174.370 174.700 0.143 0.000 1.005 251 T CA -0.932 61.214 62.100 0.078 0.000 1.041 251 T CB 0.957 69.824 68.868 -0.002 0.000 1.042 251 T HN 0.431 nan 8.240 nan 0.000 0.505 252 F N -0.470 119.442 119.950 -0.064 0.000 2.588 252 F HA 0.787 5.314 4.527 -0.000 0.000 0.310 252 F C -0.566 175.161 175.800 -0.122 0.000 1.082 252 F CA -0.955 56.997 58.000 -0.080 0.000 0.929 252 F CB 1.720 40.656 39.000 -0.106 0.000 1.254 252 F HN 0.894 nan 8.300 nan 0.000 0.455 253 T N 0.557 115.033 114.554 -0.129 0.000 2.907 253 T HA 0.824 5.174 4.350 -0.000 0.000 0.292 253 T C -1.356 173.278 174.700 -0.110 0.000 1.043 253 T CA -0.845 61.107 62.100 -0.247 0.000 1.003 253 T CB 1.689 70.476 68.868 -0.135 0.000 1.084 253 T HN 0.717 nan 8.240 nan 0.000 0.483 254 V N 3.065 122.890 119.914 -0.148 0.000 2.769 254 V HA 0.387 4.507 4.120 -0.000 0.000 0.312 254 V C -1.690 174.378 176.094 -0.043 0.000 1.061 254 V CA -2.192 60.072 62.300 -0.060 0.000 0.931 254 V CB 2.101 33.898 31.823 -0.043 0.000 1.010 254 V HN 0.703 nan 8.190 nan 0.000 0.433 255 P HA -0.165 nan 4.420 nan 0.000 0.217 255 P C 1.620 178.912 177.300 -0.014 0.000 1.148 255 P CA 1.835 64.926 63.100 -0.016 0.000 0.828 255 P CB 0.108 31.802 31.700 -0.011 0.000 0.783 256 T N -5.247 109.305 114.554 -0.005 0.000 3.055 256 T HA -0.042 4.308 4.350 -0.000 0.000 0.265 256 T C 0.571 175.268 174.700 -0.006 0.000 1.111 256 T CA 0.560 62.660 62.100 0.001 0.000 1.118 256 T CB -0.392 68.487 68.868 0.019 0.000 0.909 256 T HN -0.084 nan 8.240 nan 0.000 0.501 257 D N 0.377 120.763 120.400 -0.022 0.000 2.593 257 D HA 0.564 5.204 4.640 -0.000 0.000 0.251 257 D C 0.105 176.371 176.300 -0.056 0.000 1.140 257 D CA -0.525 53.453 54.000 -0.036 0.000 0.855 257 D CB 1.884 42.658 40.800 -0.044 0.000 1.267 257 D HN 0.162 nan 8.370 nan 0.000 0.532 258 A N 3.825 126.618 122.820 -0.044 0.000 2.265 258 A HA 0.090 4.410 4.320 -0.000 0.000 0.213 258 A C 0.405 177.955 177.584 -0.056 0.000 1.255 258 A CA 0.040 52.050 52.037 -0.044 0.000 0.862 258 A CB -0.259 18.723 19.000 -0.030 0.000 0.852 258 A HN 0.420 nan 8.150 nan 0.000 0.484 259 N N 0.482 119.135 118.700 -0.078 0.000 2.240 259 N HA 0.199 4.939 4.740 -0.000 0.000 0.302 259 N C -1.344 174.078 175.510 -0.146 0.000 1.106 259 N CA -0.617 52.379 53.050 -0.089 0.000 0.778 259 N CB 1.085 39.529 38.487 -0.071 0.000 1.431 259 N HN 0.196 nan 8.380 nan 0.000 0.479 260 N N 1.284 119.903 118.700 -0.135 0.000 2.497 260 N HA 0.164 4.904 4.740 -0.000 0.000 0.268 260 N C -0.419 174.942 175.510 -0.248 0.000 1.171 260 N CA 0.190 53.129 53.050 -0.187 0.000 0.948 260 N CB 1.180 39.602 38.487 -0.109 0.000 1.069 260 N HN 0.335 nan 8.380 nan 0.000 0.460 261 L N 4.773 125.715 121.223 -0.469 0.000 2.265 261 L HA 0.358 4.698 4.340 -0.000 0.000 0.289 261 L C -1.907 174.791 176.870 -0.287 0.000 1.033 261 L CA -1.774 52.745 54.840 -0.535 0.000 0.814 261 L CB 1.627 42.929 42.059 -1.262 0.000 1.203 261 L HN 0.247 nan 8.230 nan 0.000 0.423 262 P HA 0.155 nan 4.420 nan 0.000 0.275 262 P C -0.836 176.549 177.300 0.142 0.000 1.228 262 P CA -0.217 62.913 63.100 0.050 0.000 0.786 262 P CB 1.894 33.620 31.700 0.044 0.000 0.927 263 V N 3.200 123.178 119.914 0.106 0.000 2.715 263 V HA 0.263 4.383 4.120 -0.000 0.000 0.310 263 V C 0.542 176.644 176.094 0.014 0.000 1.054 263 V CA -0.480 61.835 62.300 0.024 0.000 0.928 263 V CB 1.048 32.772 31.823 -0.166 0.000 1.007 263 V HN 0.648 nan 8.190 nan 0.000 0.437 264 Q N 0.789 120.598 119.800 0.015 0.000 2.478 264 Q HA -0.180 4.160 4.340 -0.000 0.000 0.286 264 Q C -0.178 175.865 176.000 0.072 0.000 1.299 264 Q CA 1.317 57.167 55.803 0.078 0.000 0.826 264 Q CB -1.175 27.646 28.738 0.140 0.000 1.199 264 Q HN 1.061 nan 8.270 nan 0.000 0.451 265 T N -1.822 112.782 114.554 0.084 0.000 2.906 265 T HA 0.391 4.741 4.350 -0.000 0.000 0.295 265 T C 0.172 174.923 174.700 0.084 0.000 1.061 265 T CA -0.466 61.679 62.100 0.074 0.000 1.000 265 T CB 1.290 70.211 68.868 0.088 0.000 1.103 265 T HN 0.089 nan 8.240 nan 0.000 0.486 266 D N 1.841 122.272 120.400 0.052 0.000 2.378 266 D HA 0.123 4.763 4.640 -0.000 0.000 0.227 266 D C 0.368 176.810 176.300 0.238 0.000 1.012 266 D CA 0.471 54.508 54.000 0.061 0.000 0.905 266 D CB 0.149 40.958 40.800 0.014 0.000 0.895 266 D HN 0.382 nan 8.370 nan 0.000 0.532 267 S N 0.339 116.165 115.700 0.209 0.000 2.565 267 S HA 0.308 4.778 4.470 -0.000 0.000 0.274 267 S C 0.507 175.237 174.600 0.217 0.000 1.309 267 S CA -0.567 57.745 58.200 0.185 0.000 1.043 267 S CB 1.482 64.749 63.200 0.112 0.000 0.939 267 S HN 0.064 nan 8.310 nan 0.000 0.504 268 R N 2.079 122.631 120.500 0.086 0.000 2.254 268 R HA 0.495 4.835 4.340 -0.000 0.000 0.318 268 R C -0.540 175.748 176.300 -0.019 0.000 1.031 268 R CA -0.307 55.745 56.100 -0.079 0.000 0.905 268 R CB 0.340 30.518 30.300 -0.204 0.000 1.050 268 R HN 0.496 nan 8.270 nan 0.000 0.456 269 L N 0.612 121.838 121.223 0.004 0.000 2.298 269 L HA 0.665 5.005 4.340 -0.000 0.000 0.268 269 L C -0.030 176.812 176.870 -0.047 0.000 1.010 269 L CA -1.063 53.812 54.840 0.059 0.000 0.812 269 L CB 1.898 44.107 42.059 0.250 0.000 1.331 269 L HN 0.615 nan 8.230 nan 0.000 0.450 270 S N 0.510 116.204 115.700 -0.011 0.000 2.649 270 S HA 0.805 5.275 4.470 -0.000 0.000 0.274 270 S C -0.960 173.643 174.600 0.005 0.000 1.176 270 S CA -0.710 57.399 58.200 -0.151 0.000 0.988 270 S CB 1.227 64.359 63.200 -0.113 0.000 1.071 270 S HN 0.590 nan 8.310 nan 0.000 0.478 271 F N -1.255 118.666 119.950 -0.049 0.000 2.711 271 F HA 0.870 5.397 4.527 -0.000 0.000 0.313 271 F C -0.641 175.137 175.800 -0.037 0.000 1.141 271 F CA -1.099 56.883 58.000 -0.030 0.000 0.941 271 F CB 1.273 40.280 39.000 0.012 0.000 1.349 271 F HN 0.509 nan 8.300 nan 0.000 0.464 272 S N 1.275 117.134 115.700 0.265 0.000 2.474 272 S HA 0.506 4.976 4.470 -0.000 0.000 0.321 272 S C 0.110 174.825 174.600 0.192 0.000 1.080 272 S CA -0.719 57.564 58.200 0.138 0.000 1.106 272 S CB 0.547 63.779 63.200 0.055 0.000 0.984 272 S HN 0.761 nan 8.310 nan 0.000 0.464 273 L N 4.493 125.815 121.223 0.165 0.000 2.693 273 L HA 0.191 4.531 4.340 -0.000 0.000 0.242 273 L C 1.920 178.802 176.870 0.021 0.000 1.157 273 L CA 0.227 55.141 54.840 0.123 0.000 0.929 273 L CB -0.440 41.694 42.059 0.125 0.000 1.103 273 L HN 0.841 nan 8.230 nan 0.000 0.430 274 G N -0.896 107.913 108.800 0.015 0.000 3.042 274 G HA2 0.028 3.988 3.960 -0.000 0.000 0.212 274 G HA3 0.028 3.988 3.960 -0.000 0.000 0.212 274 G C 1.378 176.266 174.900 -0.020 0.000 1.166 274 G CA 0.434 45.523 45.100 -0.018 0.000 0.767 274 G HN 0.439 nan 8.290 nan 0.000 0.546 275 G N 0.070 108.865 108.800 -0.008 0.000 2.448 275 G HA2 0.306 4.266 3.960 -0.000 0.000 0.218 275 G HA3 0.306 4.266 3.960 -0.000 0.000 0.218 275 G C 1.332 176.216 174.900 -0.026 0.000 1.135 275 G CA 0.805 45.898 45.100 -0.011 0.000 0.784 275 G HN 1.326 nan 8.290 nan 0.000 0.543 276 G N -0.420 108.353 108.800 -0.044 0.000 2.218 276 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 276 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 276 G C 0.014 174.873 174.900 -0.068 0.000 0.994 276 G CA 0.395 45.458 45.100 -0.063 0.000 0.637 276 G HN 1.364 nan 8.290 nan 0.000 0.505 277 N N -0.622 118.049 118.700 -0.049 0.000 3.265 277 N HA 0.419 5.159 4.740 -0.000 0.000 0.235 277 N C -1.397 174.105 175.510 -0.014 0.000 1.343 277 N CA -0.707 52.324 53.050 -0.032 0.000 0.904 277 N CB 0.972 39.455 38.487 -0.006 0.000 1.492 277 N HN 0.261 nan 8.380 nan 0.000 0.504 278 I N 0.674 121.240 120.570 -0.008 0.000 2.441 278 I HA 0.314 4.484 4.170 -0.000 0.000 0.295 278 I C -0.438 175.743 176.117 0.106 0.000 0.994 278 I CA -0.772 60.512 61.300 -0.026 0.000 1.144 278 I CB 1.712 39.514 38.000 -0.330 0.000 1.314 278 I HN 0.557 nan 8.210 nan 0.000 0.445 279 N N 5.947 124.728 118.700 0.135 0.000 2.558 279 N HA 0.413 5.153 4.740 -0.000 0.000 0.242 279 N C -1.391 174.257 175.510 0.230 0.000 0.979 279 N CA -0.500 52.660 53.050 0.184 0.000 0.931 279 N CB 0.948 39.500 38.487 0.107 0.000 1.122 279 N HN 0.448 nan 8.380 nan 0.000 0.508 280 L N 2.330 123.742 121.223 0.314 0.000 2.325 280 L HA 0.558 4.898 4.340 -0.000 0.000 0.279 280 L C -0.542 176.490 176.870 0.270 0.000 1.054 280 L CA -0.036 54.974 54.840 0.283 0.000 0.804 280 L CB 1.155 43.374 42.059 0.266 0.000 1.200 280 L HN 0.524 nan 8.230 nan 0.000 0.436 281 E N 5.987 126.298 120.200 0.184 0.000 2.437 281 E HA 0.273 4.623 4.350 -0.000 0.000 0.238 281 E C -1.141 175.520 176.600 0.102 0.000 0.969 281 E CA -0.414 56.084 56.400 0.163 0.000 0.759 281 E CB 1.151 30.922 29.700 0.118 0.000 1.283 281 E HN 0.577 nan 8.360 nan 0.000 0.416 282 L N 1.938 123.197 121.223 0.060 0.000 2.477 282 L HA 0.069 4.409 4.340 -0.000 0.000 0.272 282 L C 1.632 178.522 176.870 0.034 0.000 1.157 282 L CA 0.114 54.936 54.840 -0.030 0.000 0.889 282 L CB 0.422 42.363 42.059 -0.196 0.000 1.158 282 L HN 0.716 nan 8.230 nan 0.000 0.473 283 G N 3.752 112.575 108.800 0.038 0.000 2.448 283 G HA2 0.080 4.040 3.960 -0.000 0.000 0.218 283 G HA3 0.080 4.040 3.960 -0.000 0.000 0.218 283 G C 0.434 175.348 174.900 0.024 0.000 1.135 283 G CA 0.261 45.385 45.100 0.041 0.000 0.784 283 G HN 0.373 nan 8.290 nan 0.000 0.543 284 V N 0.049 119.962 119.914 -0.002 0.000 2.808 284 V HA 0.675 4.795 4.120 -0.000 0.000 0.308 284 V C 0.155 176.227 176.094 -0.037 0.000 1.099 284 V CA -1.301 60.992 62.300 -0.012 0.000 0.920 284 V CB 1.520 33.332 31.823 -0.020 0.000 1.014 284 V HN 0.373 nan 8.190 nan 0.000 0.425 285 A N 4.436 127.251 122.820 -0.007 0.000 2.531 285 A HA 0.474 4.794 4.320 -0.000 0.000 0.236 285 A C 0.082 177.647 177.584 -0.031 0.000 1.062 285 A CA 0.424 52.461 52.037 -0.000 0.000 0.760 285 A CB 0.052 19.072 19.000 0.033 0.000 0.995 285 A HN 0.805 nan 8.150 nan 0.000 0.501 286 K N 1.001 121.386 120.400 -0.024 0.000 2.422 286 K HA 0.397 4.717 4.320 -0.000 0.000 0.251 286 K C -0.711 175.906 176.600 0.029 0.000 0.933 286 K CA -0.543 55.725 56.287 -0.032 0.000 0.798 286 K CB 2.035 34.473 32.500 -0.103 0.000 1.238 286 K HN 0.580 nan 8.250 nan 0.000 0.428 287 T N 1.547 116.106 114.554 0.008 0.000 4.475 287 T HA 0.277 4.627 4.350 -0.000 0.000 0.254 287 T C 0.342 175.052 174.700 0.017 0.000 1.160 287 T CA -0.233 61.877 62.100 0.017 0.000 1.091 287 T CB -0.584 68.286 68.868 0.003 0.000 1.377 287 T HN 0.887 nan 8.240 nan 0.000 1.057 288 G N 2.445 111.271 108.800 0.042 0.000 3.409 288 G HA2 0.064 4.024 3.960 -0.000 0.000 0.686 288 G HA3 0.064 4.024 3.960 -0.000 0.000 0.686 288 G C -0.701 174.217 174.900 0.030 0.000 1.017 288 G CA -0.953 44.146 45.100 -0.003 0.000 0.854 288 G HN 0.698 nan 8.290 nan 0.000 0.508 289 F N 0.339 120.284 119.950 -0.007 0.000 2.577 289 F HA 0.864 5.391 4.527 -0.000 0.000 0.318 289 F C -0.085 175.772 175.800 0.095 0.000 1.065 289 F CA -1.852 56.136 58.000 -0.020 0.000 0.929 289 F CB 1.764 40.702 39.000 -0.104 0.000 1.237 289 F HN 0.875 nan 8.300 nan 0.000 0.468 290 C N 4.185 123.661 119.300 0.294 0.000 2.505 290 C HA 0.802 5.262 4.460 -0.000 0.000 0.342 290 C C -0.959 174.046 174.990 0.026 0.000 1.121 290 C CA -0.415 58.677 59.018 0.122 0.000 1.306 290 C CB 0.312 28.161 27.740 0.181 0.000 1.897 290 C HN 0.864 nan 8.230 nan 0.000 0.446 291 V N 5.320 124.952 119.914 -0.470 0.000 2.567 291 V HA 0.808 4.928 4.120 -0.000 0.000 0.289 291 V C 0.684 176.280 176.094 -0.830 0.000 1.049 291 V CA 0.047 61.840 62.300 -0.844 0.000 0.969 291 V CB 1.561 32.516 31.823 -1.446 0.000 0.995 291 V HN 1.120 nan 8.190 nan 0.000 0.471 292 A N 5.330 127.720 122.820 -0.718 0.000 2.371 292 A HA 0.867 5.187 4.320 -0.000 0.000 0.311 292 A C -0.914 176.390 177.584 -0.465 0.000 1.068 292 A CA -0.544 51.134 52.037 -0.598 0.000 0.744 292 A CB 1.063 19.596 19.000 -0.779 0.000 1.239 292 A HN 0.733 nan 8.150 nan 0.000 0.435 293 I N 1.859 122.340 120.570 -0.148 0.000 2.382 293 I HA 0.332 4.502 4.170 -0.000 0.000 0.285 293 I C -0.167 176.072 176.117 0.204 0.000 1.007 293 I CA -0.037 61.314 61.300 0.085 0.000 1.142 293 I CB 1.557 39.722 38.000 0.274 0.000 1.289 293 I HN 0.780 nan 8.210 nan 0.000 0.453 294 E N 5.317 125.640 120.200 0.205 0.000 2.155 294 E HA 0.707 5.057 4.350 -0.000 0.000 0.264 294 E C -0.441 176.295 176.600 0.227 0.000 0.886 294 E CA -0.391 56.179 56.400 0.284 0.000 0.752 294 E CB 1.811 31.709 29.700 0.331 0.000 1.133 294 E HN 0.825 nan 8.360 nan 0.000 0.414 295 G N 3.141 112.091 108.800 0.251 0.000 2.510 295 G HA2 0.122 4.082 3.960 -0.000 0.000 0.277 295 G HA3 0.122 4.082 3.960 -0.000 0.000 0.277 295 G C -1.364 173.601 174.900 0.109 0.000 1.223 295 G CA -0.712 44.411 45.100 0.039 0.000 0.887 295 G HN 0.409 nan 8.290 nan 0.000 0.485 296 E N -0.136 120.029 120.200 -0.059 0.000 2.115 296 E HA 0.621 4.971 4.350 -0.000 0.000 0.282 296 E C -1.310 175.249 176.600 -0.069 0.000 0.987 296 E CA -0.436 55.977 56.400 0.021 0.000 0.797 296 E CB 0.547 30.228 29.700 -0.031 0.000 1.086 296 E HN 0.176 nan 8.360 nan 0.000 0.397 297 F N 2.312 122.244 119.950 -0.029 0.000 2.408 297 F HA 0.429 4.956 4.527 -0.000 0.000 0.344 297 F C 0.770 176.563 175.800 -0.012 0.000 1.112 297 F CA -0.342 57.643 58.000 -0.024 0.000 1.096 297 F CB 1.885 40.889 39.000 0.008 0.000 1.129 297 F HN 0.237 nan 8.300 nan 0.000 0.486 298 T N 4.171 118.774 114.554 0.082 0.000 2.906 298 T HA 0.646 4.996 4.350 -0.000 0.000 0.295 298 T C -0.710 174.017 174.700 0.044 0.000 1.061 298 T CA -0.680 61.454 62.100 0.057 0.000 1.000 298 T CB 0.850 69.725 68.868 0.011 0.000 1.103 298 T HN 0.390 nan 8.240 nan 0.000 0.486 299 I N 4.454 125.047 120.570 0.038 0.000 2.352 299 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 299 I C 0.746 176.844 176.117 -0.031 0.000 1.036 299 I CA -0.741 60.569 61.300 0.017 0.000 1.336 299 I CB 0.976 38.992 38.000 0.027 0.000 1.407 299 I HN 0.601 nan 8.210 nan 0.000 0.497 300 L N 5.172 126.364 121.223 -0.051 0.000 2.517 300 L HA -0.041 4.299 4.340 -0.000 0.000 0.294 300 L C 1.008 177.756 176.870 -0.203 0.000 1.264 300 L CA 0.014 54.788 54.840 -0.109 0.000 0.839 300 L CB 0.298 42.310 42.059 -0.078 0.000 1.098 300 L HN 0.712 nan 8.230 nan 0.000 0.525 301 A N 2.473 125.077 122.820 -0.360 0.000 2.498 301 A HA 0.098 4.418 4.320 -0.000 0.000 0.239 301 A C 0.732 178.131 177.584 -0.308 0.000 1.068 301 A CA -0.152 51.500 52.037 -0.643 0.000 0.766 301 A CB -0.102 18.344 19.000 -0.923 0.000 1.003 301 A HN 0.947 nan 8.150 nan 0.000 0.497 302 N N 0.430 118.992 118.700 -0.231 0.000 2.721 302 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 302 N C 0.356 175.843 175.510 -0.038 0.000 1.072 302 N CA 1.216 54.222 53.050 -0.073 0.000 0.710 302 N CB -0.455 38.004 38.487 -0.045 0.000 0.993 302 N HN 0.744 nan 8.380 nan 0.000 0.547 303 R N -1.044 119.439 120.500 -0.028 0.000 2.556 303 R HA 0.136 4.476 4.340 -0.000 0.000 0.276 303 R C 1.725 178.067 176.300 0.069 0.000 0.931 303 R CA 0.766 56.873 56.100 0.011 0.000 1.061 303 R CB -0.149 30.145 30.300 -0.009 0.000 1.432 303 R HN 0.354 nan 8.270 nan 0.000 0.547 304 S N 0.648 116.406 115.700 0.098 0.000 2.493 304 S HA -0.174 4.296 4.470 -0.000 0.000 0.243 304 S C 1.583 176.348 174.600 0.275 0.000 0.991 304 S CA 0.981 59.313 58.200 0.219 0.000 0.957 304 S CB 0.030 63.400 63.200 0.283 0.000 0.756 304 S HN 0.129 nan 8.310 nan 0.000 0.521 305 Q N 1.603 121.498 119.800 0.158 0.000 2.170 305 Q HA 0.202 4.542 4.340 -0.000 0.000 0.203 305 Q C 2.469 178.541 176.000 0.121 0.000 0.976 305 Q CA 1.542 57.419 55.803 0.123 0.000 0.858 305 Q CB -0.852 27.923 28.738 0.062 0.000 0.907 305 Q HN 0.762 nan 8.270 nan 0.000 0.433 306 A N -0.444 122.449 122.820 0.121 0.000 1.877 306 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 306 A C 1.936 179.610 177.584 0.149 0.000 1.186 306 A CA 1.522 53.628 52.037 0.115 0.000 0.620 306 A CB -0.876 18.188 19.000 0.105 0.000 0.822 306 A HN 0.511 nan 8.150 nan 0.000 0.443 307 Y N -0.931 119.385 120.300 0.027 0.000 2.133 307 Y HA -0.202 4.348 4.550 -0.000 0.000 0.287 307 Y C 2.034 177.907 175.900 -0.045 0.000 1.134 307 Y CA 1.784 59.868 58.100 -0.026 0.000 1.133 307 Y CB -0.608 37.760 38.460 -0.153 0.000 0.987 307 Y HN 0.361 nan 8.280 nan 0.000 0.502 308 Y N -0.902 119.327 120.300 -0.118 0.000 2.616 308 Y HA -0.061 4.489 4.550 -0.000 0.000 0.296 308 Y C 2.116 177.814 175.900 -0.336 0.000 1.154 308 Y CA 1.211 59.012 58.100 -0.498 0.000 1.325 308 Y CB -0.052 38.149 38.460 -0.432 0.000 1.007 308 Y HN 0.082 nan 8.280 nan 0.000 0.542 309 T N -0.515 114.039 114.554 0.000 0.000 3.022 309 T HA 0.164 4.514 4.350 -0.000 0.000 0.250 309 T C 0.709 175.440 174.700 0.052 0.000 1.060 309 T CA 0.074 62.192 62.100 0.029 0.000 1.013 309 T CB 0.063 68.960 68.868 0.048 0.000 0.982 309 T HN 0.246 nan 8.240 nan 0.000 0.508 310 L N 1.083 122.338 121.223 0.054 0.000 3.938 310 L HA -0.198 4.142 4.340 -0.000 0.000 0.405 310 L C 0.849 177.749 176.870 0.052 0.000 1.202 310 L CA -0.121 54.758 54.840 0.064 0.000 0.920 310 L CB -1.782 40.325 42.059 0.080 0.000 2.054 310 L HN 0.197 nan 8.230 nan 0.000 0.815 311 N N -0.190 118.543 118.700 0.055 0.000 2.373 311 N HA 0.007 4.747 4.740 -0.000 0.000 0.181 311 N C 1.611 177.151 175.510 0.049 0.000 1.082 311 N CA 0.876 53.956 53.050 0.050 0.000 0.885 311 N CB 0.268 38.785 38.487 0.050 0.000 0.977 311 N HN 0.559 nan 8.380 nan 0.000 0.462 312 S N -0.641 115.097 115.700 0.063 0.000 2.561 312 S HA 0.111 4.581 4.470 -0.000 0.000 0.225 312 S C 0.661 175.283 174.600 0.037 0.000 0.977 312 S CA 0.008 58.251 58.200 0.071 0.000 0.926 312 S CB -0.264 63.012 63.200 0.128 0.000 0.769 312 S HN 0.154 nan 8.310 nan 0.000 0.533 313 I N 3.269 123.851 120.570 0.021 0.000 2.396 313 I HA 0.146 4.316 4.170 -0.000 0.000 0.289 313 I C 1.224 177.343 176.117 0.003 0.000 1.056 313 I CA -0.190 61.108 61.300 -0.003 0.000 1.365 313 I CB 1.209 39.208 38.000 -0.002 0.000 1.407 313 I HN 0.310 nan 8.210 nan 0.000 0.509 314 T N 1.452 116.003 114.554 -0.005 0.000 2.964 314 T HA 0.197 4.547 4.350 -0.000 0.000 0.250 314 T C 0.796 175.496 174.700 0.000 0.000 0.982 314 T CA -0.297 61.804 62.100 0.002 0.000 0.959 314 T CB 0.450 69.322 68.868 0.006 0.000 1.141 314 T HN 0.387 nan 8.240 nan 0.000 0.494 315 Q N 1.376 121.172 119.800 -0.007 0.000 2.239 315 Q HA 0.697 5.037 4.340 -0.000 0.000 0.193 315 Q C -0.842 175.154 176.000 -0.006 0.000 1.004 315 Q CA -0.194 55.607 55.803 -0.003 0.000 1.040 315 Q CB 1.058 29.796 28.738 -0.001 0.000 1.149 315 Q HN 0.278 nan 8.270 nan 0.000 0.535 316 T N 1.393 115.945 114.554 -0.004 0.000 3.709 316 T HA 0.331 4.681 4.350 -0.000 0.000 0.378 316 T C -2.487 172.210 174.700 -0.004 0.000 1.352 316 T CA -0.878 61.218 62.100 -0.007 0.000 1.144 316 T CB 1.336 70.200 68.868 -0.008 0.000 1.289 316 T HN 0.358 nan 8.240 nan 0.000 0.476 317 P HA 0.670 nan 4.420 nan 0.000 0.277 317 P C -0.516 176.781 177.300 -0.007 0.000 1.276 317 P CA -0.448 62.646 63.100 -0.009 0.000 0.788 317 P CB 0.597 32.292 31.700 -0.010 0.000 1.114 318 T N -1.368 113.179 114.554 -0.011 0.000 2.883 318 T HA 0.457 4.807 4.350 -0.000 0.000 0.301 318 T C -0.898 173.798 174.700 -0.007 0.000 1.158 318 T CA -0.610 61.481 62.100 -0.015 0.000 1.007 318 T CB 0.608 69.455 68.868 -0.036 0.000 1.186 318 T HN 0.232 nan 8.240 nan 0.000 0.499 319 S N 2.517 118.222 115.700 0.009 0.000 2.489 319 S HA 0.642 5.112 4.470 -0.000 0.000 0.277 319 S C -0.499 174.105 174.600 0.006 0.000 1.230 319 S CA -0.639 57.587 58.200 0.044 0.000 1.053 319 S CB 0.141 63.441 63.200 0.166 0.000 0.955 319 S HN 0.625 nan 8.310 nan 0.000 0.488 320 I N 3.498 124.063 120.570 -0.009 0.000 2.656 320 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 320 I C -0.429 175.653 176.117 -0.057 0.000 1.144 320 I CA -0.815 60.454 61.300 -0.052 0.000 1.038 320 I CB 1.556 39.513 38.000 -0.072 0.000 1.244 320 I HN 0.714 nan 8.210 nan 0.000 0.420 321 D N 5.618 125.955 120.400 -0.106 0.000 2.315 321 D HA 0.027 4.667 4.640 -0.000 0.000 0.275 321 D C -0.349 175.861 176.300 -0.151 0.000 1.218 321 D CA 0.029 53.981 54.000 -0.081 0.000 1.040 321 D CB 0.588 41.376 40.800 -0.020 0.000 1.123 321 D HN 0.650 nan 8.370 nan 0.000 0.541 322 D N -2.514 117.835 120.400 -0.084 0.000 2.539 322 D HA 0.034 4.674 4.640 -0.000 0.000 0.232 322 D C 0.228 176.653 176.300 0.208 0.000 1.256 322 D CA -0.609 53.438 54.000 0.078 0.000 0.810 322 D CB -0.816 40.145 40.800 0.268 0.000 1.090 322 D HN 0.535 nan 8.370 nan 0.000 0.519 323 F N 1.677 121.806 119.950 0.299 0.000 3.057 323 F HA -0.286 4.241 4.527 -0.000 0.000 0.287 323 F C -0.032 176.039 175.800 0.453 0.000 0.834 323 F CA 0.638 58.834 58.000 0.327 0.000 1.147 323 F CB -1.970 37.102 39.000 0.121 0.000 1.245 323 F HN -0.023 nan 8.300 nan 0.000 0.509 324 D N -2.583 118.101 120.400 0.473 0.000 3.046 324 D HA -0.231 4.409 4.640 -0.000 0.000 0.210 324 D C 1.323 177.884 176.300 0.436 0.000 1.124 324 D CA 1.112 55.372 54.000 0.433 0.000 0.986 324 D CB -1.664 39.435 40.800 0.499 0.000 1.118 324 D HN 0.439 nan 8.370 nan 0.000 0.416 325 V N -0.035 120.069 119.914 0.318 0.000 2.317 325 V HA -0.367 3.752 4.120 -0.000 0.000 0.251 325 V C 2.726 178.928 176.094 0.180 0.000 1.065 325 V CA 2.780 65.114 62.300 0.057 0.000 1.049 325 V CB -1.433 30.155 31.823 -0.391 0.000 0.651 325 V HN 0.430 nan 8.190 nan 0.000 0.450 326 S N 1.245 117.044 115.700 0.165 0.000 2.389 326 S HA -0.362 4.108 4.470 -0.000 0.000 0.231 326 S C 1.553 176.232 174.600 0.131 0.000 1.052 326 S CA 2.073 60.354 58.200 0.134 0.000 1.053 326 S CB -1.058 62.222 63.200 0.133 0.000 0.886 326 S HN 0.640 nan 8.310 nan 0.000 0.456 327 D N 0.680 121.197 120.400 0.194 0.000 2.264 327 D HA 0.051 4.691 4.640 -0.000 0.000 0.208 327 D C 1.155 177.436 176.300 -0.032 0.000 0.966 327 D CA 0.770 54.814 54.000 0.074 0.000 0.864 327 D CB -0.361 40.468 40.800 0.049 0.000 0.933 327 D HN 0.544 nan 8.370 nan 0.000 0.499 328 F N -0.288 119.682 119.950 0.032 0.000 2.656 328 F HA 0.221 4.748 4.527 -0.000 0.000 0.291 328 F C 2.055 177.866 175.800 0.019 0.000 1.122 328 F CA -0.015 58.002 58.000 0.029 0.000 1.427 328 F CB -0.245 38.775 39.000 0.034 0.000 1.125 328 F HN -0.121 nan 8.300 nan 0.000 0.583 329 L N -0.628 120.702 121.223 0.179 0.000 2.093 329 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 329 L C 2.288 179.182 176.870 0.040 0.000 1.085 329 L CA 1.256 56.167 54.840 0.118 0.000 0.755 329 L CB -1.272 40.804 42.059 0.028 0.000 0.904 329 L HN 0.094 nan 8.230 nan 0.000 0.435 330 T N -0.266 114.267 114.554 -0.034 0.000 2.578 330 T HA -0.380 3.970 4.350 -0.000 0.000 0.252 330 T C 1.875 176.536 174.700 -0.065 0.000 1.192 330 T CA 2.930 64.978 62.100 -0.085 0.000 1.143 330 T CB -0.990 67.833 68.868 -0.076 0.000 0.848 330 T HN 0.660 nan 8.240 nan 0.000 0.450 331 T N 0.968 115.509 114.554 -0.022 0.000 2.607 331 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 331 T C 1.660 176.371 174.700 0.018 0.000 1.049 331 T CA 1.813 63.903 62.100 -0.017 0.000 1.162 331 T CB -1.114 67.743 68.868 -0.018 0.000 0.863 331 T HN 0.281 nan 8.240 nan 0.000 0.424 332 F N 2.546 122.454 119.950 -0.070 0.000 2.065 332 F HA -0.038 4.489 4.527 -0.000 0.000 0.298 332 F C 2.170 177.917 175.800 -0.088 0.000 1.112 332 F CA 0.952 58.917 58.000 -0.058 0.000 1.212 332 F CB -0.759 38.240 39.000 -0.002 0.000 0.975 332 F HN 0.118 nan 8.300 nan 0.000 0.476 333 L N -0.681 120.408 121.223 -0.222 0.000 1.971 333 L HA -0.310 4.030 4.340 -0.000 0.000 0.215 333 L C 2.568 179.256 176.870 -0.303 0.000 1.072 333 L CA 1.886 56.483 54.840 -0.406 0.000 0.758 333 L CB -1.333 40.444 42.059 -0.471 0.000 0.889 333 L HN 0.048 nan 8.230 nan 0.000 0.433 334 S N -1.009 114.575 115.700 -0.193 0.000 2.420 334 S HA -0.212 4.258 4.470 -0.000 0.000 0.237 334 S C 1.937 176.467 174.600 -0.117 0.000 1.023 334 S CA 1.142 59.268 58.200 -0.122 0.000 0.991 334 S CB -0.169 62.978 63.200 -0.089 0.000 0.792 334 S HN 0.387 nan 8.310 nan 0.000 0.488 335 Q N 0.131 119.837 119.800 -0.157 0.000 2.269 335 Q HA 0.177 4.517 4.340 -0.000 0.000 0.201 335 Q C 2.126 178.029 176.000 -0.162 0.000 0.946 335 Q CA 0.444 56.171 55.803 -0.127 0.000 0.877 335 Q CB -0.161 28.533 28.738 -0.074 0.000 0.963 335 Q HN 0.505 nan 8.270 nan 0.000 0.472 336 L N 0.046 121.086 121.223 -0.306 0.000 1.988 336 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 336 L C 2.523 179.356 176.870 -0.061 0.000 1.071 336 L CA 1.136 55.827 54.840 -0.248 0.000 0.744 336 L CB -0.399 41.388 42.059 -0.453 0.000 0.893 336 L HN 0.134 nan 8.230 nan 0.000 0.433 337 R N 0.007 120.500 120.500 -0.011 0.000 2.133 337 R HA -0.243 4.097 4.340 -0.000 0.000 0.247 337 R C 2.311 178.617 176.300 0.010 0.000 1.151 337 R CA 1.409 57.549 56.100 0.067 0.000 0.971 337 R CB -0.697 29.655 30.300 0.086 0.000 0.866 337 R HN 0.425 nan 8.270 nan 0.000 0.447 338 A N 1.086 123.889 122.820 -0.029 0.000 1.917 338 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 338 A C 2.286 179.846 177.584 -0.040 0.000 1.182 338 A CA 1.796 53.810 52.037 -0.038 0.000 0.633 338 A CB -0.655 18.312 19.000 -0.055 0.000 0.819 338 A HN 0.693 nan 8.150 nan 0.000 0.448 339 C N -2.868 116.401 119.300 -0.051 0.000 2.884 339 C HA 0.594 5.054 4.460 -0.000 0.000 0.287 339 C C 1.365 176.349 174.990 -0.011 0.000 1.310 339 C CA -0.499 58.485 59.018 -0.057 0.000 1.725 339 C CB -0.964 26.695 27.740 -0.134 0.000 2.060 339 C HN 1.782 nan 8.230 nan 0.000 0.618 340 G N 1.785 110.597 108.800 0.019 0.000 2.392 340 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.290 340 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.290 340 G C 0.219 175.172 174.900 0.089 0.000 1.032 340 G CA 0.542 45.672 45.100 0.050 0.000 1.269 340 G HN 0.623 nan 8.290 nan 0.000 0.511 341 Q N -1.051 118.831 119.800 0.137 0.000 2.040 341 Q HA 0.094 4.434 4.340 -0.000 0.000 0.212 341 Q C 1.506 177.674 176.000 0.280 0.000 0.766 341 Q CA 0.041 55.962 55.803 0.196 0.000 0.967 341 Q CB 0.096 28.973 28.738 0.231 0.000 1.202 341 Q HN 0.799 nan 8.270 nan 0.000 0.446 342 Y N 2.316 122.673 120.300 0.095 0.000 2.193 342 Y HA -0.345 4.205 4.550 -0.000 0.000 0.285 342 Y C 1.531 177.574 175.900 0.238 0.000 1.166 342 Y CA 1.753 59.945 58.100 0.153 0.000 1.181 342 Y CB 0.631 39.145 38.460 0.091 0.000 0.976 342 Y HN 0.087 nan 8.280 nan 0.000 0.520 343 E N 0.838 121.289 120.200 0.419 0.000 2.001 343 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 343 E C 2.035 178.789 176.600 0.257 0.000 0.994 343 E CA 1.878 58.442 56.400 0.273 0.000 0.815 343 E CB -0.538 29.236 29.700 0.123 0.000 0.770 343 E HN 0.536 nan 8.360 nan 0.000 0.453 344 I N 0.308 120.999 120.570 0.203 0.000 2.502 344 I HA -0.260 3.910 4.170 -0.000 0.000 0.258 344 I C 1.980 178.191 176.117 0.157 0.000 1.172 344 I CA 0.774 62.165 61.300 0.151 0.000 1.430 344 I CB -0.194 37.887 38.000 0.135 0.000 1.086 344 I HN 0.047 nan 8.210 nan 0.000 0.440 345 F N 0.943 120.938 119.950 0.075 0.000 2.118 345 F HA -0.185 4.342 4.527 -0.000 0.000 0.293 345 F C 2.878 178.630 175.800 -0.079 0.000 1.102 345 F CA 1.666 59.651 58.000 -0.025 0.000 1.247 345 F CB -0.492 38.510 39.000 0.004 0.000 1.017 345 F HN -0.086 nan 8.300 nan 0.000 0.475 346 S N -0.062 115.783 115.700 0.242 0.000 2.392 346 S HA -0.246 4.224 4.470 -0.000 0.000 0.232 346 S C 1.792 176.387 174.600 -0.008 0.000 1.041 346 S CA 2.021 60.345 58.200 0.207 0.000 1.026 346 S CB -0.586 62.889 63.200 0.458 0.000 0.845 346 S HN 0.444 nan 8.310 nan 0.000 0.465 347 D N 0.700 121.090 120.400 -0.017 0.000 2.183 347 D HA 0.088 4.728 4.640 -0.000 0.000 0.203 347 D C 2.126 178.328 176.300 -0.165 0.000 0.969 347 D CA 1.151 55.115 54.000 -0.059 0.000 0.842 347 D CB -0.470 40.317 40.800 -0.021 0.000 0.957 347 D HN 0.512 nan 8.370 nan 0.000 0.484 348 A N 0.459 123.112 122.820 -0.279 0.000 2.016 348 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 348 A C 2.105 179.401 177.584 -0.481 0.000 1.162 348 A CA 0.765 52.574 52.037 -0.380 0.000 0.662 348 A CB -0.187 18.530 19.000 -0.472 0.000 0.812 348 A HN 0.053 nan 8.150 nan 0.000 0.450 349 M N -0.064 119.180 119.600 -0.594 0.000 2.123 349 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 349 M C 1.314 177.429 176.300 -0.309 0.000 1.069 349 M CA 1.234 56.184 55.300 -0.584 0.000 1.133 349 M CB -1.268 30.848 32.600 -0.805 0.000 1.356 349 M HN 0.355 nan 8.290 nan 0.000 0.415 350 D N 0.004 120.280 120.400 -0.207 0.000 2.182 350 D HA -0.206 4.434 4.640 -0.000 0.000 0.201 350 D C 1.949 178.199 176.300 -0.082 0.000 0.986 350 D CA 1.074 55.014 54.000 -0.100 0.000 0.847 350 D CB -0.133 40.648 40.800 -0.033 0.000 0.942 350 D HN 0.516 nan 8.370 nan 0.000 0.467 351 Q N -0.056 119.661 119.800 -0.138 0.000 2.172 351 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 351 Q C 2.208 178.116 176.000 -0.152 0.000 0.964 351 Q CA 0.439 56.165 55.803 -0.128 0.000 0.855 351 Q CB 0.064 28.709 28.738 -0.154 0.000 0.918 351 Q HN 0.150 nan 8.270 nan 0.000 0.444 352 L N 0.403 121.497 121.223 -0.215 0.000 1.973 352 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 352 L C 2.500 179.274 176.870 -0.161 0.000 1.073 352 L CA 2.545 57.245 54.840 -0.235 0.000 0.746 352 L CB -0.996 40.869 42.059 -0.323 0.000 0.891 352 L HN 0.369 nan 8.230 nan 0.000 0.433 353 T N -2.816 111.662 114.554 -0.127 0.000 2.803 353 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 353 T C 1.760 176.475 174.700 0.024 0.000 1.052 353 T CA 1.775 63.847 62.100 -0.047 0.000 1.136 353 T CB -0.748 68.088 68.868 -0.052 0.000 0.864 353 T HN 0.352 nan 8.240 nan 0.000 0.467 354 N N 0.928 119.643 118.700 0.025 0.000 2.083 354 N HA 0.018 4.758 4.740 -0.000 0.000 0.190 354 N C 2.133 177.629 175.510 -0.022 0.000 1.047 354 N CA 1.442 54.511 53.050 0.032 0.000 0.845 354 N CB -0.707 37.792 38.487 0.020 0.000 1.025 354 N HN 0.335 nan 8.380 nan 0.000 0.428 355 S N -0.227 115.439 115.700 -0.057 0.000 2.423 355 S HA -0.133 4.337 4.470 -0.000 0.000 0.238 355 S C 1.739 176.296 174.600 -0.071 0.000 1.028 355 S CA 0.838 58.995 58.200 -0.073 0.000 1.000 355 S CB -0.379 62.757 63.200 -0.106 0.000 0.797 355 S HN 0.291 nan 8.310 nan 0.000 0.487 356 L N 1.591 122.763 121.223 -0.084 0.000 1.973 356 L HA 0.078 4.418 4.340 -0.000 0.000 0.208 356 L C 2.032 178.907 176.870 0.009 0.000 1.073 356 L CA 1.795 56.580 54.840 -0.092 0.000 0.746 356 L CB -0.705 41.258 42.059 -0.160 0.000 0.891 356 L HN 0.363 nan 8.230 nan 0.000 0.433 357 I N -0.683 119.885 120.570 -0.002 0.000 2.185 357 I HA -0.403 3.767 4.170 -0.000 0.000 0.246 357 I C 2.258 178.417 176.117 0.071 0.000 1.088 357 I CA 1.773 63.092 61.300 0.033 0.000 1.347 357 I CB -1.140 36.857 38.000 -0.004 0.000 1.041 357 I HN 0.379 nan 8.210 nan 0.000 0.415 358 T N 1.011 115.577 114.554 0.021 0.000 2.570 358 T HA -0.261 4.089 4.350 -0.000 0.000 0.266 358 T C 1.528 176.234 174.700 0.010 0.000 1.071 358 T CA 2.301 64.403 62.100 0.004 0.000 1.172 358 T CB -0.827 68.029 68.868 -0.020 0.000 0.864 358 T HN 0.498 nan 8.240 nan 0.000 0.421 359 N N -0.082 118.615 118.700 -0.006 0.000 2.334 359 N HA -0.148 4.592 4.740 -0.000 0.000 0.187 359 N C 1.502 176.934 175.510 -0.130 0.000 1.016 359 N CA 1.002 54.015 53.050 -0.062 0.000 0.879 359 N CB -0.270 38.165 38.487 -0.087 0.000 0.965 359 N HN 0.427 nan 8.380 nan 0.000 0.438 360 Y N 0.510 120.783 120.300 -0.044 0.000 2.516 360 Y HA 0.136 4.686 4.550 -0.000 0.000 0.291 360 Y C 0.533 176.425 175.900 -0.012 0.000 1.131 360 Y CA 0.555 58.641 58.100 -0.024 0.000 1.281 360 Y CB 0.220 38.658 38.460 -0.038 0.000 1.013 360 Y HN -0.027 nan 8.280 nan 0.000 0.554 361 M N 0.242 119.878 119.600 0.060 0.000 2.134 361 M HA 0.192 4.672 4.480 -0.000 0.000 0.310 361 M C -1.270 175.031 176.300 0.001 0.000 0.966 361 M CA -0.488 54.832 55.300 0.033 0.000 0.922 361 M CB 1.387 34.007 32.600 0.033 0.000 1.537 361 M HN -0.172 nan 8.290 nan 0.000 0.424 362 D N 5.946 126.343 120.400 -0.004 0.000 2.280 362 D HA 0.374 5.014 4.640 -0.000 0.000 0.243 362 D C -2.078 174.220 176.300 -0.004 0.000 1.129 362 D CA -0.974 53.020 54.000 -0.009 0.000 0.848 362 D CB 1.409 42.202 40.800 -0.011 0.000 1.107 362 D HN 0.422 nan 8.370 nan 0.000 0.471 363 P HA 0.323 nan 4.420 nan 0.000 0.279 363 P C -2.617 174.676 177.300 -0.012 0.000 1.239 363 P CA -1.451 61.644 63.100 -0.010 0.000 0.789 363 P CB 0.151 31.846 31.700 -0.009 0.000 0.933 364 P HA 0.129 nan 4.420 nan 0.000 0.197 364 P C -0.702 176.588 177.300 -0.018 0.000 1.121 364 P CA 1.092 64.182 63.100 -0.018 0.000 1.318 364 P CB -0.774 30.914 31.700 -0.020 0.000 1.634 365 A N 2.334 125.143 122.820 -0.017 0.000 2.604 365 A HA 0.521 4.841 4.320 -0.000 0.000 0.295 365 A C -0.704 176.865 177.584 -0.025 0.000 1.067 365 A CA -0.733 51.291 52.037 -0.022 0.000 0.683 365 A CB 0.683 19.670 19.000 -0.022 0.000 1.281 365 A HN 0.082 nan 8.150 nan 0.000 0.407 366 I N 1.928 122.478 120.570 -0.033 0.000 2.815 366 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 366 I C -1.747 174.339 176.117 -0.051 0.000 1.209 366 I CA -0.314 60.959 61.300 -0.046 0.000 1.431 366 I CB -0.286 37.682 38.000 -0.053 0.000 1.351 366 I HN 0.439 nan 8.210 nan 0.000 0.585 367 P HA 0.405 nan 4.420 nan 0.000 0.276 367 P C -1.270 175.985 177.300 -0.076 0.000 1.261 367 P CA -0.701 62.360 63.100 -0.066 0.000 0.800 367 P CB 0.697 32.353 31.700 -0.074 0.000 1.066 368 A N 0.757 123.539 122.820 -0.064 0.000 2.289 368 A HA 0.561 4.881 4.320 -0.000 0.000 0.298 368 A C 0.945 178.483 177.584 -0.077 0.000 1.208 368 A CA 0.248 52.246 52.037 -0.064 0.000 0.845 368 A CB -0.805 18.166 19.000 -0.047 0.000 1.125 368 A HN 0.839 nan 8.150 nan 0.000 0.517 369 G N 1.097 109.844 108.800 -0.089 0.000 2.131 369 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.201 369 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.201 369 G C -0.057 174.755 174.900 -0.147 0.000 1.000 369 G CA 0.069 45.110 45.100 -0.098 0.000 0.680 369 G HN 1.430 nan 8.290 nan 0.000 0.514 370 L N 1.516 122.624 121.223 -0.192 0.000 2.415 370 L HA 0.686 5.026 4.340 -0.000 0.000 0.269 370 L C 0.924 177.587 176.870 -0.345 0.000 1.244 370 L CA 0.394 55.035 54.840 -0.332 0.000 1.113 370 L CB -0.170 41.672 42.059 -0.362 0.000 1.352 370 L HN 0.676 nan 8.230 nan 0.000 0.433 371 A N 5.527 128.181 122.820 -0.277 0.000 2.736 371 A HA 0.344 4.664 4.320 -0.000 0.000 0.335 371 A C -0.265 177.259 177.584 -0.101 0.000 1.446 371 A CA -0.445 51.497 52.037 -0.158 0.000 1.028 371 A CB -0.713 18.235 19.000 -0.086 0.000 1.154 371 A HN 0.554 nan 8.150 nan 0.000 0.507 372 F N 1.756 121.675 119.950 -0.051 0.000 2.506 372 F HA 0.042 4.569 4.527 -0.000 0.000 0.369 372 F C 1.921 177.687 175.800 -0.056 0.000 1.114 372 F CA 0.237 58.201 58.000 -0.060 0.000 1.121 372 F CB 1.088 40.054 39.000 -0.057 0.000 1.104 372 F HN 0.599 nan 8.300 nan 0.000 0.564 373 T N 0.958 115.608 114.554 0.160 0.000 3.088 373 T HA -0.006 4.344 4.350 -0.000 0.000 0.259 373 T C 0.603 175.308 174.700 0.008 0.000 1.122 373 T CA 0.707 62.841 62.100 0.056 0.000 1.095 373 T CB -0.081 68.803 68.868 0.026 0.000 0.930 373 T HN 0.538 nan 8.240 nan 0.000 0.508 374 S N 1.068 116.754 115.700 -0.024 0.000 2.618 374 S HA 0.753 5.223 4.470 -0.000 0.000 0.277 374 S C -3.248 171.208 174.600 -0.239 0.000 1.138 374 S CA -1.459 56.661 58.200 -0.134 0.000 0.844 374 S CB 1.999 65.102 63.200 -0.162 0.000 1.127 374 S HN 0.107 nan 8.310 nan 0.000 0.474 375 P HA 0.141 nan 4.420 nan 0.000 0.276 375 P C 1.413 178.388 177.300 -0.541 0.000 1.244 375 P CA -0.597 62.253 63.100 -0.417 0.000 0.801 375 P CB 0.322 31.711 31.700 -0.518 0.000 1.006 376 W N 3.295 124.367 121.300 -0.380 0.000 2.303 376 W HA -0.234 4.426 4.660 -0.000 0.000 0.287 376 W C 0.667 177.141 176.519 -0.075 0.000 1.213 376 W CA 1.057 58.263 57.345 -0.233 0.000 1.203 376 W CB -1.808 27.601 29.460 -0.085 0.000 1.136 376 W HN 0.292 nan 8.180 nan 0.000 0.547 377 F N 0.360 119.819 119.950 -0.819 0.000 2.664 377 F HA 0.481 5.008 4.527 -0.000 0.000 0.303 377 F C 1.544 177.155 175.800 -0.315 0.000 1.092 377 F CA -0.919 56.593 58.000 -0.813 0.000 1.305 377 F CB -0.975 37.166 39.000 -1.431 0.000 1.054 377 F HN -0.291 nan 8.300 nan 0.000 0.565 378 R N -0.216 120.051 120.500 -0.388 0.000 2.609 378 R HA 0.171 4.511 4.340 -0.000 0.000 0.326 378 R C 1.051 177.337 176.300 -0.023 0.000 1.090 378 R CA -0.438 55.577 56.100 -0.143 0.000 1.072 378 R CB -0.729 29.411 30.300 -0.267 0.000 1.330 378 R HN 0.295 nan 8.270 nan 0.000 0.572 379 F N 0.921 120.813 119.950 -0.096 0.000 2.063 379 F HA -0.526 4.001 4.527 -0.000 0.000 0.281 379 F C 2.403 178.198 175.800 -0.008 0.000 1.066 379 F CA 2.382 60.365 58.000 -0.028 0.000 1.325 379 F CB -0.535 38.484 39.000 0.032 0.000 0.953 379 F HN 0.175 nan 8.300 nan 0.000 0.493 380 S N -0.583 115.252 115.700 0.225 0.000 2.381 380 S HA -0.320 4.150 4.470 -0.000 0.000 0.230 380 S C 1.882 176.465 174.600 -0.029 0.000 1.052 380 S CA 2.108 60.376 58.200 0.112 0.000 1.068 380 S CB -0.502 62.750 63.200 0.087 0.000 0.918 380 S HN 0.715 nan 8.310 nan 0.000 0.448 381 E N 0.109 120.274 120.200 -0.059 0.000 2.051 381 E HA -0.005 4.344 4.350 -0.000 0.000 0.189 381 E C 2.579 179.116 176.600 -0.106 0.000 0.979 381 E CA 0.605 56.961 56.400 -0.074 0.000 0.803 381 E CB -0.188 29.471 29.700 -0.068 0.000 0.761 381 E HN 0.431 nan 8.360 nan 0.000 0.451 382 R N 0.618 121.002 120.500 -0.193 0.000 2.159 382 R HA -0.100 4.240 4.340 -0.000 0.000 0.237 382 R C 2.278 178.454 176.300 -0.206 0.000 1.131 382 R CA 1.001 56.984 56.100 -0.196 0.000 0.982 382 R CB -0.248 29.801 30.300 -0.418 0.000 0.868 382 R HN 0.122 nan 8.270 nan 0.000 0.453 383 A N 1.099 123.693 122.820 -0.376 0.000 1.873 383 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 383 A C 2.134 179.648 177.584 -0.118 0.000 1.186 383 A CA 1.255 53.112 52.037 -0.301 0.000 0.616 383 A CB -0.460 18.379 19.000 -0.267 0.000 0.823 383 A HN 0.230 nan 8.150 nan 0.000 0.442 384 R N -0.668 119.781 120.500 -0.086 0.000 2.103 384 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 384 R C 2.134 178.413 176.300 -0.035 0.000 1.142 384 R CA 2.269 58.341 56.100 -0.046 0.000 0.960 384 R CB -0.660 29.620 30.300 -0.034 0.000 0.858 384 R HN 0.508 nan 8.270 nan 0.000 0.439 385 T N 1.659 116.202 114.554 -0.019 0.000 2.643 385 T HA -0.111 4.239 4.350 -0.000 0.000 0.264 385 T C 1.837 176.512 174.700 -0.041 0.000 1.045 385 T CA 1.460 63.553 62.100 -0.011 0.000 1.155 385 T CB -0.138 68.771 68.868 0.069 0.000 0.863 385 T HN 0.126 nan 8.240 nan 0.000 0.420 386 I N 1.376 121.936 120.570 -0.017 0.000 2.151 386 I HA -0.123 4.047 4.170 -0.000 0.000 0.243 386 I C 2.258 178.345 176.117 -0.051 0.000 1.080 386 I CA 1.488 62.762 61.300 -0.043 0.000 1.339 386 I CB -1.382 36.598 38.000 -0.033 0.000 1.039 386 I HN 0.272 nan 8.210 nan 0.000 0.409 387 L N 0.475 121.673 121.223 -0.042 0.000 2.633 387 L HA -0.056 4.284 4.340 -0.000 0.000 0.235 387 L C 2.086 178.937 176.870 -0.032 0.000 1.163 387 L CA 0.417 55.238 54.840 -0.033 0.000 0.859 387 L CB -0.465 41.578 42.059 -0.027 0.000 0.973 387 L HN 0.192 nan 8.230 nan 0.000 0.451 388 A N -0.650 122.146 122.820 -0.040 0.000 2.390 388 A HA 0.284 4.604 4.320 -0.000 0.000 0.232 388 A C 0.845 178.402 177.584 -0.045 0.000 1.233 388 A CA -0.360 51.654 52.037 -0.038 0.000 0.907 388 A CB 0.113 19.091 19.000 -0.037 0.000 0.967 388 A HN 0.213 nan 8.150 nan 0.000 0.512 389 L N 1.277 122.467 121.223 -0.054 0.000 2.456 389 L HA 0.046 4.386 4.340 -0.000 0.000 0.277 389 L C 1.143 177.990 176.870 -0.038 0.000 1.124 389 L CA -0.523 54.282 54.840 -0.058 0.000 0.880 389 L CB 0.565 42.582 42.059 -0.069 0.000 1.192 389 L HN 0.380 nan 8.230 nan 0.000 0.463 390 Q N 2.050 121.829 119.800 -0.035 0.000 2.297 390 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 390 Q C 1.354 177.342 176.000 -0.021 0.000 0.962 390 Q CA 1.017 56.806 55.803 -0.024 0.000 0.879 390 Q CB -0.028 28.697 28.738 -0.022 0.000 0.947 390 Q HN 0.697 nan 8.270 nan 0.000 0.462 391 N N 0.536 119.220 118.700 -0.026 0.000 2.006 391 N HA -0.117 4.623 4.740 -0.000 0.000 0.196 391 N C 0.628 176.130 175.510 -0.013 0.000 1.057 391 N CA 1.129 54.166 53.050 -0.022 0.000 0.853 391 N CB -0.379 38.090 38.487 -0.029 0.000 1.051 391 N HN 0.059 nan 8.380 nan 0.000 0.423 392 V N 1.729 121.636 119.914 -0.012 0.000 2.583 392 V HA 0.151 4.271 4.120 -0.000 0.000 0.287 392 V C 0.189 176.285 176.094 0.004 0.000 1.051 392 V CA -1.107 61.194 62.300 0.001 0.000 1.010 392 V CB 0.740 32.567 31.823 0.007 0.000 0.988 392 V HN 0.288 nan 8.190 nan 0.000 0.478 393 D N 3.418 123.826 120.400 0.014 0.000 2.362 393 D HA 0.015 4.655 4.640 -0.000 0.000 0.242 393 D C 1.145 177.456 176.300 0.019 0.000 1.132 393 D CA -0.624 53.385 54.000 0.015 0.000 0.907 393 D CB 1.587 42.399 40.800 0.020 0.000 1.195 393 D HN 0.350 nan 8.370 nan 0.000 0.429 394 L N 2.280 123.512 121.223 0.015 0.000 2.077 394 L HA -0.381 3.959 4.340 -0.000 0.000 0.231 394 L C 1.906 178.791 176.870 0.025 0.000 1.100 394 L CA 2.161 57.011 54.840 0.015 0.000 0.819 394 L CB -0.995 41.074 42.059 0.016 0.000 0.913 394 L HN 0.490 nan 8.230 nan 0.000 0.446 395 N N -0.516 118.206 118.700 0.038 0.000 2.018 395 N HA -0.230 4.510 4.740 -0.000 0.000 0.196 395 N C 1.825 177.375 175.510 0.067 0.000 1.043 395 N CA 2.112 55.195 53.050 0.055 0.000 0.856 395 N CB -0.536 37.989 38.487 0.064 0.000 1.042 395 N HN 0.313 nan 8.380 nan 0.000 0.423 396 I N 1.630 122.247 120.570 0.079 0.000 2.264 396 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 396 I C 2.423 178.555 176.117 0.026 0.000 1.111 396 I CA 0.928 62.296 61.300 0.112 0.000 1.382 396 I CB -0.374 37.705 38.000 0.132 0.000 1.060 396 I HN 0.095 nan 8.210 nan 0.000 0.418 397 R N 0.420 120.923 120.500 0.005 0.000 2.088 397 R HA -0.188 4.152 4.340 -0.000 0.000 0.232 397 R C 2.273 178.543 176.300 -0.050 0.000 1.136 397 R CA 1.660 57.741 56.100 -0.032 0.000 0.926 397 R CB -0.389 29.900 30.300 -0.019 0.000 0.837 397 R HN 0.309 nan 8.270 nan 0.000 0.429 398 K N 0.491 120.883 120.400 -0.013 0.000 2.034 398 K HA -0.182 4.138 4.320 -0.000 0.000 0.214 398 K C 2.120 178.700 176.600 -0.034 0.000 1.051 398 K CA 1.359 57.648 56.287 0.003 0.000 0.931 398 K CB -0.282 32.238 32.500 0.034 0.000 0.715 398 K HN 0.124 nan 8.250 nan 0.000 0.446 399 L N 0.994 122.187 121.223 -0.050 0.000 2.043 399 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 399 L C 2.359 178.970 176.870 -0.432 0.000 1.075 399 L CA 1.717 56.475 54.840 -0.136 0.000 0.752 399 L CB -0.758 41.328 42.059 0.046 0.000 0.891 399 L HN 0.293 nan 8.230 nan 0.000 0.432 400 I N -1.155 119.121 120.570 -0.490 0.000 2.226 400 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 400 I C 2.534 178.524 176.117 -0.213 0.000 1.100 400 I CA 0.753 61.723 61.300 -0.551 0.000 1.374 400 I CB -0.298 37.463 38.000 -0.398 0.000 1.057 400 I HN 0.017 nan 8.210 nan 0.000 0.413 401 V N 0.967 120.836 119.914 -0.075 0.000 2.255 401 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 401 V C 2.609 178.868 176.094 0.275 0.000 1.051 401 V CA 1.975 64.349 62.300 0.123 0.000 1.018 401 V CB -0.751 31.154 31.823 0.137 0.000 0.641 401 V HN 0.369 nan 8.190 nan 0.000 0.445 402 R N -0.944 119.608 120.500 0.086 0.000 2.080 402 R HA -0.211 4.129 4.340 -0.000 0.000 0.236 402 R C 2.357 178.621 176.300 -0.060 0.000 1.137 402 R CA 2.169 58.296 56.100 0.045 0.000 0.943 402 R CB -0.616 29.658 30.300 -0.044 0.000 0.846 402 R HN 0.682 nan 8.270 nan 0.000 0.431 403 H N 0.107 118.817 119.070 -0.600 0.000 2.352 403 H HA -0.127 4.429 4.556 -0.000 0.000 0.299 403 H C 2.086 177.401 175.328 -0.022 0.000 1.097 403 H CA 1.401 57.147 56.048 -0.504 0.000 1.311 403 H CB 0.117 29.547 29.762 -0.552 0.000 1.377 403 H HN 0.056 nan 8.280 nan 0.000 0.504 404 L N -0.001 121.361 121.223 0.231 0.000 1.989 404 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 404 L C 2.142 179.264 176.870 0.421 0.000 1.071 404 L CA 2.027 57.048 54.840 0.302 0.000 0.749 404 L CB -1.274 40.966 42.059 0.302 0.000 0.890 404 L HN 0.560 nan 8.230 nan 0.000 0.431 405 W N 0.263 121.750 121.300 0.312 0.000 2.301 405 W HA -0.310 4.350 4.660 -0.000 0.000 0.325 405 W C 2.498 179.028 176.519 0.018 0.000 1.250 405 W CA 2.953 60.277 57.345 -0.034 0.000 1.261 405 W CB -0.548 28.884 29.460 -0.046 0.000 1.157 405 W HN -0.028 nan 8.180 nan 0.000 0.473 406 V N 1.019 121.300 119.914 0.611 0.000 2.317 406 V HA -0.390 3.730 4.120 -0.000 0.000 0.251 406 V C 2.158 178.371 176.094 0.199 0.000 1.065 406 V CA 1.958 64.552 62.300 0.490 0.000 1.049 406 V CB -1.048 31.086 31.823 0.518 0.000 0.651 406 V HN 0.238 nan 8.190 nan 0.000 0.450 407 I N -0.095 120.564 120.570 0.149 0.000 2.202 407 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 407 I C 2.569 178.666 176.117 -0.033 0.000 1.091 407 I CA 1.914 63.213 61.300 -0.001 0.000 1.368 407 I CB -1.782 36.200 38.000 -0.029 0.000 1.058 407 I HN 0.333 nan 8.210 nan 0.000 0.410 408 T N 1.385 115.920 114.554 -0.032 0.000 2.597 408 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 408 T C 2.136 176.737 174.700 -0.164 0.000 1.053 408 T CA 2.585 64.656 62.100 -0.047 0.000 1.165 408 T CB -0.452 68.330 68.868 -0.143 0.000 0.863 408 T HN 0.572 nan 8.240 nan 0.000 0.427 409 S N 1.816 117.253 115.700 -0.438 0.000 2.353 409 S HA -0.136 4.334 4.470 -0.000 0.000 0.222 409 S C 2.044 176.593 174.600 -0.084 0.000 1.035 409 S CA 1.144 59.095 58.200 -0.415 0.000 1.025 409 S CB -0.957 61.857 63.200 -0.642 0.000 0.902 409 S HN 0.204 nan 8.310 nan 0.000 0.440 410 L N 1.496 122.729 121.223 0.017 0.000 2.103 410 L HA -0.085 4.255 4.340 -0.000 0.000 0.215 410 L C 2.369 179.304 176.870 0.108 0.000 1.080 410 L CA 1.520 56.443 54.840 0.138 0.000 0.764 410 L CB -0.775 41.300 42.059 0.027 0.000 0.890 410 L HN 0.471 nan 8.230 nan 0.000 0.435 411 I N -1.704 118.904 120.570 0.062 0.000 2.193 411 I HA -0.248 3.922 4.170 -0.000 0.000 0.240 411 I C 2.504 178.515 176.117 -0.177 0.000 1.084 411 I CA 1.010 62.324 61.300 0.023 0.000 1.365 411 I CB -0.587 37.423 38.000 0.017 0.000 1.064 411 I HN 0.220 nan 8.210 nan 0.000 0.410 412 A N 0.417 123.201 122.820 -0.061 0.000 2.042 412 A HA -0.188 4.132 4.320 -0.000 0.000 0.222 412 A C 2.353 179.954 177.584 0.028 0.000 1.167 412 A CA 2.098 54.138 52.037 0.006 0.000 0.649 412 A CB -0.873 18.168 19.000 0.068 0.000 0.809 412 A HN 0.311 nan 8.150 nan 0.000 0.457 413 V N -2.201 117.742 119.914 0.049 0.000 2.374 413 V HA -0.063 4.057 4.120 -0.000 0.000 0.241 413 V C 2.136 178.221 176.094 -0.016 0.000 1.034 413 V CA 1.527 63.868 62.300 0.068 0.000 1.037 413 V CB -0.852 31.043 31.823 0.121 0.000 0.682 413 V HN 0.520 nan 8.190 nan 0.000 0.463 414 F N 1.590 121.333 119.950 -0.344 0.000 2.259 414 F HA 0.092 4.619 4.527 -0.000 0.000 0.298 414 F C 2.334 177.913 175.800 -0.369 0.000 1.088 414 F CA 1.197 58.879 58.000 -0.530 0.000 1.358 414 F CB -1.216 36.929 39.000 -1.425 0.000 1.040 414 F HN 0.179 nan 8.300 nan 0.000 0.505 415 G N 0.057 108.726 108.800 -0.218 0.000 2.414 415 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.215 415 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.215 415 G C 1.683 176.765 174.900 0.303 0.000 1.188 415 G CA 0.760 45.833 45.100 -0.045 0.000 0.783 415 G HN 0.198 nan 8.290 nan 0.000 0.537 416 R N -0.394 120.224 120.500 0.197 0.000 2.366 416 R HA -0.285 4.055 4.340 -0.000 0.000 0.249 416 R C 1.969 178.185 176.300 -0.140 0.000 1.064 416 R CA 2.305 58.402 56.100 -0.004 0.000 0.925 416 R CB -1.015 29.099 30.300 -0.310 0.000 0.952 416 R HN 0.548 nan 8.270 nan 0.000 0.444 417 Y N -0.868 119.545 120.300 0.187 0.000 2.488 417 Y HA 0.025 4.575 4.550 -0.000 0.000 0.319 417 Y C 0.239 176.269 175.900 0.216 0.000 1.212 417 Y CA -0.534 57.658 58.100 0.154 0.000 1.273 417 Y CB -0.575 37.940 38.460 0.092 0.000 1.074 417 Y HN 0.109 nan 8.280 nan 0.000 0.503 418 Y N 2.836 123.249 120.300 0.188 0.000 2.496 418 Y HA 0.262 4.812 4.550 -0.000 0.000 0.334 418 Y C 0.375 176.331 175.900 0.093 0.000 1.080 418 Y CA -1.008 57.195 58.100 0.173 0.000 1.355 418 Y CB 0.196 38.793 38.460 0.229 0.000 1.193 418 Y HN 0.143 nan 8.280 nan 0.000 0.523 419 R N 8.412 128.789 120.500 -0.205 0.000 3.107 419 R HA 0.230 4.570 4.340 -0.000 0.000 0.251 419 R C -2.576 173.566 176.300 -0.263 0.000 1.818 419 R CA -1.344 54.587 56.100 -0.282 0.000 1.228 419 R CB 1.086 31.334 30.300 -0.088 0.000 1.459 419 R HN 0.442 nan 8.270 nan 0.000 0.520 420 P HA -0.262 nan 4.420 nan 0.000 0.214 420 P C -0.307 176.948 177.300 -0.074 0.000 1.172 420 P CA 1.305 64.276 63.100 -0.214 0.000 0.925 420 P CB 0.013 31.568 31.700 -0.242 0.000 0.793 421 N N 0.000 118.653 118.700 -0.078 0.000 1.763 421 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 421 N CA 0.000 53.029 53.050 -0.035 0.000 0.885 421 N CB 0.000 38.465 38.487 -0.038 0.000 1.341 421 N HN 0.000 nan 8.380 nan 0.000 0.667