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 1v8b_1_D DATA FIRST_RESID 4 DATA SEQUENCE NKSKVKDISL APFGKMQMEI SENEMPGLMR IREEYGKDQP LKNAKITGCL DATA SEQUENCE HMTVECALLI ETLQKLGAQI RWCSCNIYST ADYAAAAVST LENVTVFAWK DATA SEQUENCE NETLEEYWWC VESALTWGDG DDNGPDMIVD DGGDATLLVH KGVEYEKLYE DATA SEQUENCE EKNILPDPEK AKNEEERCFL TLLKNSILKN PKKWTNIAKK IIGVSEETTT DATA SEQUENCE GVLRLKKMDK QNELLFTAIN VNDAVTKQKY DNVYGCRHSL PDGLMRATDF DATA SEQUENCE LISGKIVVIC GYGDVGKGCA SSMKGLGARV YITEIDPICA IQAVMEGFNV DATA SEQUENCE VTLDEIVDKG DFFITCTGNV DVIKLEHLLK MKNNAVVGNI GHFDDEIQVN DATA SEQUENCE ELFNYKGIHI ENVKPQVDRI TLPNGNKIIV LARGRLLNLG CATGHPAFVM DATA SEQUENCE SFSFCNQTFA QLDLWQNKDT NKYENKVYLL PKHLDEKVAL YHLKKLNASL DATA SEQUENCE TELDDNQCQF LGVNKSGPFK SNEYRY 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.562 175.510 0.086 0.000 1.280 4 N CA 0.000 53.103 53.050 0.088 0.000 0.885 4 N CB 0.000 38.520 38.487 0.056 0.000 1.341 5 K N 1.994 122.478 120.400 0.139 0.000 2.316 5 K HA 0.482 4.802 4.320 -0.000 0.000 0.251 5 K C -0.700 175.936 176.600 0.060 0.000 0.934 5 K CA -0.554 55.782 56.287 0.081 0.000 0.802 5 K CB 1.774 34.325 32.500 0.086 0.000 1.171 5 K HN 0.595 nan 8.250 nan 0.000 0.426 6 S N 2.067 117.709 115.700 -0.097 0.000 2.579 6 S HA 0.085 4.555 4.470 -0.000 0.000 0.275 6 S C -0.367 174.209 174.600 -0.040 0.000 1.345 6 S CA -0.163 57.878 58.200 -0.266 0.000 1.031 6 S CB 0.592 63.657 63.200 -0.226 0.000 0.892 6 S HN 0.482 nan 8.310 nan 0.000 0.529 7 K N 2.167 122.582 120.400 0.026 0.000 2.572 7 K HA 0.512 4.832 4.320 -0.000 0.000 0.244 7 K C -1.051 175.705 176.600 0.260 0.000 0.965 7 K CA -0.470 55.961 56.287 0.241 0.000 0.943 7 K CB 0.586 33.441 32.500 0.591 0.000 1.154 7 K HN 0.516 nan 8.250 nan 0.000 0.447 8 V N 0.213 120.194 119.914 0.113 0.000 3.102 8 V HA 0.458 4.578 4.120 -0.000 0.000 0.312 8 V C 1.108 177.206 176.094 0.006 0.000 1.135 8 V CA -1.041 61.343 62.300 0.141 0.000 1.022 8 V CB 1.854 33.734 31.823 0.095 0.000 1.056 8 V HN 0.566 nan 8.190 nan 0.000 0.436 9 K N 0.885 121.314 120.400 0.049 0.000 1.977 9 K HA -0.124 4.196 4.320 -0.000 0.000 0.218 9 K C 0.259 176.837 176.600 -0.037 0.000 1.051 9 K CA 2.603 58.866 56.287 -0.041 0.000 0.953 9 K CB -0.154 32.384 32.500 0.063 0.000 0.727 9 K HN 1.047 nan 8.250 nan 0.000 0.445 10 D N -0.573 119.834 120.400 0.013 0.000 2.602 10 D HA 0.115 4.755 4.640 -0.000 0.000 0.245 10 D C 0.145 176.464 176.300 0.031 0.000 1.325 10 D CA -0.305 53.702 54.000 0.010 0.000 0.952 10 D CB 0.882 41.690 40.800 0.013 0.000 1.317 10 D HN 0.008 nan 8.370 nan 0.000 0.577 11 I N 3.064 123.646 120.570 0.019 0.000 2.916 11 I HA -0.112 4.058 4.170 -0.000 0.000 0.267 11 I C 1.766 177.905 176.117 0.036 0.000 1.263 11 I CA 1.256 62.572 61.300 0.026 0.000 1.471 11 I CB -0.143 37.863 38.000 0.011 0.000 1.089 11 I HN 0.469 nan 8.210 nan 0.000 0.468 12 S N -0.868 114.852 115.700 0.034 0.000 2.561 12 S HA 0.016 4.485 4.470 -0.000 0.000 0.225 12 S C 1.687 176.326 174.600 0.065 0.000 0.977 12 S CA 0.330 58.553 58.200 0.038 0.000 0.926 12 S CB -0.627 62.587 63.200 0.024 0.000 0.769 12 S HN 0.492 nan 8.310 nan 0.000 0.533 13 L N 0.770 122.046 121.223 0.088 0.000 2.554 13 L HA 0.237 4.576 4.340 -0.000 0.000 0.226 13 L C 2.844 179.832 176.870 0.197 0.000 1.137 13 L CA 0.455 55.385 54.840 0.150 0.000 0.863 13 L CB -0.675 41.492 42.059 0.180 0.000 0.985 13 L HN 0.426 nan 8.230 nan 0.000 0.451 14 A N 1.728 124.625 122.820 0.129 0.000 1.903 14 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 14 A C 0.103 177.753 177.584 0.110 0.000 1.191 14 A CA 2.032 54.134 52.037 0.108 0.000 0.638 14 A CB -1.790 17.245 19.000 0.059 0.000 0.823 14 A HN 0.302 nan 8.150 nan 0.000 0.451 15 P HA -0.195 nan 4.420 nan 0.000 0.215 15 P C 1.611 178.963 177.300 0.085 0.000 1.153 15 P CA 1.363 64.508 63.100 0.076 0.000 0.853 15 P CB -0.277 31.465 31.700 0.071 0.000 0.788 16 F N 1.571 121.523 119.950 0.003 0.000 2.134 16 F HA -0.033 4.494 4.527 -0.001 0.000 0.299 16 F C 2.391 178.175 175.800 -0.027 0.000 1.097 16 F CA 2.127 60.102 58.000 -0.043 0.000 1.264 16 F CB -1.050 37.903 39.000 -0.077 0.000 1.001 16 F HN -0.109 nan 8.300 nan 0.000 0.479 17 G N -0.199 108.718 108.800 0.196 0.000 2.418 17 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.217 17 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.217 17 G C 1.664 176.576 174.900 0.020 0.000 1.158 17 G CA 0.839 46.062 45.100 0.204 0.000 0.771 17 G HN 0.245 nan 8.290 nan 0.000 0.545 18 K N -0.474 119.927 120.400 0.001 0.000 2.063 18 K HA -0.019 4.301 4.320 -0.000 0.000 0.208 18 K C 2.341 178.893 176.600 -0.080 0.000 1.048 18 K CA 1.386 57.654 56.287 -0.031 0.000 0.928 18 K CB -0.304 32.186 32.500 -0.017 0.000 0.713 18 K HN 0.344 nan 8.250 nan 0.000 0.442 19 M N 0.522 120.035 119.600 -0.144 0.000 2.132 19 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 19 M C 1.640 177.814 176.300 -0.209 0.000 1.065 19 M CA 1.660 56.849 55.300 -0.185 0.000 1.122 19 M CB -0.140 32.308 32.600 -0.253 0.000 1.365 19 M HN 0.025 nan 8.290 nan 0.000 0.411 20 Q N -0.268 119.360 119.800 -0.287 0.000 2.124 20 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 20 Q C 2.191 178.144 176.000 -0.078 0.000 0.977 20 Q CA 1.995 57.673 55.803 -0.208 0.000 0.850 20 Q CB -0.550 28.069 28.738 -0.198 0.000 0.901 20 Q HN 0.631 nan 8.270 nan 0.000 0.429 21 M N 0.116 119.685 119.600 -0.052 0.000 2.132 21 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 21 M C 2.135 178.414 176.300 -0.036 0.000 1.065 21 M CA 1.359 56.643 55.300 -0.026 0.000 1.122 21 M CB -0.264 32.320 32.600 -0.026 0.000 1.365 21 M HN 0.191 nan 8.290 nan 0.000 0.411 22 E N 1.115 121.284 120.200 -0.051 0.000 2.077 22 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 22 E C 1.801 178.377 176.600 -0.040 0.000 0.989 22 E CA 1.263 57.636 56.400 -0.046 0.000 0.800 22 E CB -0.027 29.642 29.700 -0.052 0.000 0.746 22 E HN 0.515 nan 8.360 nan 0.000 0.452 23 I N 0.372 120.913 120.570 -0.049 0.000 2.286 23 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 23 I C 2.304 178.413 176.117 -0.014 0.000 1.104 23 I CA 0.752 62.030 61.300 -0.036 0.000 1.397 23 I CB -0.117 37.852 38.000 -0.052 0.000 1.072 23 I HN 0.021 nan 8.210 nan 0.000 0.417 24 S N 0.135 115.831 115.700 -0.007 0.000 2.507 24 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 24 S C 1.750 176.358 174.600 0.013 0.000 0.988 24 S CA 0.794 59.005 58.200 0.017 0.000 0.944 24 S CB -0.284 62.936 63.200 0.032 0.000 0.762 24 S HN 0.402 nan 8.310 nan 0.000 0.526 25 E N 1.580 121.778 120.200 -0.005 0.000 2.085 25 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 25 E C 1.450 178.043 176.600 -0.012 0.000 0.994 25 E CA 1.214 57.605 56.400 -0.016 0.000 0.801 25 E CB -0.159 29.525 29.700 -0.026 0.000 0.743 25 E HN 0.596 nan 8.360 nan 0.000 0.453 26 N N 0.271 118.971 118.700 -0.000 0.000 2.381 26 N HA -0.099 4.640 4.740 -0.000 0.000 0.182 26 N C 1.063 176.605 175.510 0.052 0.000 1.025 26 N CA 0.552 53.609 53.050 0.013 0.000 0.888 26 N CB 0.214 38.708 38.487 0.011 0.000 0.965 26 N HN 0.049 nan 8.380 nan 0.000 0.438 27 E N -0.020 120.221 120.200 0.069 0.000 2.479 27 E HA 0.123 4.473 4.350 -0.000 0.000 0.193 27 E C 0.012 176.660 176.600 0.081 0.000 1.049 27 E CA 0.361 56.854 56.400 0.156 0.000 0.870 27 E CB 0.278 30.064 29.700 0.144 0.000 0.944 27 E HN 0.481 nan 8.360 nan 0.000 0.492 28 M N 1.497 121.084 119.600 -0.023 0.000 2.944 28 M HA 0.169 4.649 4.480 -0.000 0.000 0.235 28 M C -1.886 174.311 176.300 -0.172 0.000 1.188 28 M CA -1.384 53.843 55.300 -0.122 0.000 0.688 28 M CB 1.524 34.091 32.600 -0.055 0.000 1.406 28 M HN -0.225 nan 8.290 nan 0.000 0.479 29 P HA -0.124 nan 4.420 nan 0.000 0.219 29 P C 1.327 178.390 177.300 -0.394 0.000 1.146 29 P CA 1.528 64.465 63.100 -0.272 0.000 0.808 29 P CB 0.189 31.751 31.700 -0.229 0.000 0.779 30 G N 0.892 109.351 108.800 -0.567 0.000 2.434 30 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.214 30 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.214 30 G C 1.720 176.542 174.900 -0.130 0.000 1.202 30 G CA 0.415 45.301 45.100 -0.356 0.000 0.788 30 G HN 0.210 nan 8.290 nan 0.000 0.539 31 L N 0.120 121.278 121.223 -0.109 0.000 2.042 31 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 31 L C 3.096 179.906 176.870 -0.099 0.000 1.076 31 L CA 0.887 55.678 54.840 -0.081 0.000 0.749 31 L CB -0.284 41.751 42.059 -0.039 0.000 0.893 31 L HN 0.192 nan 8.230 nan 0.000 0.432 32 M N -1.129 118.399 119.600 -0.120 0.000 2.213 32 M HA -0.158 4.322 4.480 -0.000 0.000 0.263 32 M C 2.257 178.472 176.300 -0.141 0.000 1.062 32 M CA 1.424 56.656 55.300 -0.114 0.000 1.105 32 M CB -1.214 31.320 32.600 -0.111 0.000 1.385 32 M HN 0.173 nan 8.290 nan 0.000 0.417 33 R N 0.412 120.775 120.500 -0.227 0.000 2.092 33 R HA -0.009 4.331 4.340 -0.000 0.000 0.231 33 R C 2.077 178.284 176.300 -0.155 0.000 1.119 33 R CA 0.968 56.867 56.100 -0.334 0.000 0.970 33 R CB -0.593 29.202 30.300 -0.843 0.000 0.864 33 R HN 0.342 nan 8.270 nan 0.000 0.440 34 I N 0.671 121.213 120.570 -0.047 0.000 2.179 34 I HA -0.242 3.927 4.170 -0.000 0.000 0.242 34 I C 2.231 178.425 176.117 0.129 0.000 1.088 34 I CA 1.277 62.646 61.300 0.114 0.000 1.357 34 I CB -0.920 37.051 38.000 -0.049 0.000 1.051 34 I HN 0.123 nan 8.210 nan 0.000 0.409 35 R N 0.739 121.252 120.500 0.021 0.000 2.120 35 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 35 R C 2.070 178.383 176.300 0.021 0.000 1.123 35 R CA 1.250 57.360 56.100 0.018 0.000 0.975 35 R CB -0.237 30.048 30.300 -0.024 0.000 0.866 35 R HN 0.522 nan 8.270 nan 0.000 0.446 36 E N 0.149 120.344 120.200 -0.009 0.000 2.208 36 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 36 E C 1.634 178.220 176.600 -0.022 0.000 0.988 36 E CA 0.829 57.212 56.400 -0.028 0.000 0.828 36 E CB 0.189 29.849 29.700 -0.067 0.000 0.763 36 E HN 0.447 nan 8.360 nan 0.000 0.478 37 E N -0.040 120.166 120.200 0.009 0.000 2.057 37 E HA -0.044 4.305 4.350 -0.000 0.000 0.191 37 E C 0.758 177.264 176.600 -0.156 0.000 0.959 37 E CA 0.555 56.898 56.400 -0.094 0.000 0.828 37 E CB 0.073 29.701 29.700 -0.120 0.000 0.800 37 E HN 0.267 nan 8.360 nan 0.000 0.460 38 Y N 0.747 121.085 120.300 0.064 0.000 2.537 38 Y HA 0.247 4.797 4.550 -0.000 0.000 0.303 38 Y C 1.568 177.487 175.900 0.032 0.000 1.176 38 Y CA -0.026 58.114 58.100 0.066 0.000 1.273 38 Y CB -0.108 38.412 38.460 0.100 0.000 1.110 38 Y HN 0.080 nan 8.280 nan 0.000 0.518 39 G N 1.385 110.255 108.800 0.118 0.000 2.605 39 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.215 39 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.215 39 G C 1.734 176.661 174.900 0.046 0.000 1.279 39 G CA 0.368 45.508 45.100 0.065 0.000 0.831 39 G HN 0.302 nan 8.290 nan 0.000 0.560 40 K N 1.025 121.440 120.400 0.026 0.000 2.519 40 K HA -0.079 4.241 4.320 -0.000 0.000 0.196 40 K C 1.334 177.952 176.600 0.031 0.000 1.041 40 K CA 1.496 57.794 56.287 0.020 0.000 0.954 40 K CB -0.199 32.305 32.500 0.007 0.000 0.774 40 K HN 0.356 nan 8.250 nan 0.000 0.480 41 D N 1.115 121.544 120.400 0.049 0.000 2.213 41 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 41 D C -0.162 176.188 176.300 0.083 0.000 0.961 41 D CA 0.421 54.461 54.000 0.066 0.000 0.853 41 D CB 0.278 41.130 40.800 0.086 0.000 0.967 41 D HN 0.133 nan 8.370 nan 0.000 0.496 42 Q N -0.297 119.551 119.800 0.081 0.000 2.459 42 Q HA -0.158 4.182 4.340 -0.000 0.000 0.322 42 Q C -1.733 174.321 176.000 0.090 0.000 1.427 42 Q CA 0.684 56.524 55.803 0.063 0.000 0.861 42 Q CB -1.597 27.167 28.738 0.044 0.000 1.137 42 Q HN 0.454 nan 8.270 nan 0.000 0.394 43 P HA -0.113 nan 4.420 nan 0.000 0.223 43 P C 1.006 178.389 177.300 0.137 0.000 1.151 43 P CA 0.872 64.087 63.100 0.191 0.000 0.787 43 P CB 0.192 32.040 31.700 0.248 0.000 0.788 44 L N -1.161 120.011 121.223 -0.084 0.000 2.741 44 L HA 0.241 4.581 4.340 -0.000 0.000 0.237 44 L C 0.912 177.515 176.870 -0.445 0.000 1.178 44 L CA -0.637 53.913 54.840 -0.483 0.000 0.973 44 L CB -0.335 41.475 42.059 -0.416 0.000 1.255 44 L HN -0.183 nan 8.230 nan 0.000 0.498 45 K N 1.546 121.871 120.400 -0.124 0.000 2.472 45 K HA -0.051 4.269 4.320 -0.000 0.000 0.280 45 K C 0.815 177.394 176.600 -0.035 0.000 1.028 45 K CA 0.630 56.888 56.287 -0.050 0.000 1.045 45 K CB 0.052 32.583 32.500 0.052 0.000 0.902 45 K HN 0.144 nan 8.250 nan 0.000 0.478 46 N N 0.258 118.914 118.700 -0.074 0.000 2.965 46 N HA -0.208 4.532 4.740 -0.000 0.000 0.232 46 N C -0.985 174.423 175.510 -0.170 0.000 0.913 46 N CA 1.302 54.335 53.050 -0.029 0.000 0.981 46 N CB -1.609 36.952 38.487 0.123 0.000 1.077 46 N HN 0.612 nan 8.380 nan 0.000 0.589 47 A N 0.978 123.444 122.820 -0.590 0.000 2.363 47 A HA 0.427 4.747 4.320 -0.000 0.000 0.270 47 A C 0.437 177.723 177.584 -0.498 0.000 1.121 47 A CA 0.029 51.474 52.037 -0.987 0.000 0.800 47 A CB 0.551 18.456 19.000 -1.825 0.000 1.052 47 A HN 0.158 nan 8.150 nan 0.000 0.493 48 K N 2.658 122.781 120.400 -0.461 0.000 2.281 48 K HA 0.498 4.818 4.320 -0.000 0.000 0.272 48 K C -1.244 175.116 176.600 -0.400 0.000 1.048 48 K CA 0.160 56.041 56.287 -0.677 0.000 0.898 48 K CB 1.142 32.847 32.500 -1.325 0.000 1.128 48 K HN 0.627 nan 8.250 nan 0.000 0.460 49 I N 2.130 122.683 120.570 -0.028 0.000 2.378 49 I HA 0.193 4.362 4.170 -0.000 0.000 0.291 49 I C -0.121 176.232 176.117 0.393 0.000 0.992 49 I CA -0.611 60.766 61.300 0.127 0.000 1.154 49 I CB 2.133 40.191 38.000 0.097 0.000 1.315 49 I HN 0.409 nan 8.210 nan 0.000 0.448 50 T N 4.526 119.239 114.554 0.264 0.000 2.771 50 T HA 0.565 4.915 4.350 -0.000 0.000 0.281 50 T C 0.139 174.731 174.700 -0.179 0.000 0.982 50 T CA -0.570 61.644 62.100 0.190 0.000 0.978 50 T CB 1.523 70.530 68.868 0.232 0.000 0.930 50 T HN 0.788 nan 8.240 nan 0.000 0.447 51 G N 0.181 108.631 108.800 -0.583 0.000 2.448 51 G HA2 0.527 4.486 3.960 -0.000 0.000 0.324 51 G HA3 0.527 4.486 3.960 -0.000 0.000 0.324 51 G C -0.941 173.124 174.900 -1.393 0.000 1.203 51 G CA -0.507 43.618 45.100 -1.625 0.000 0.954 51 G HN 0.807 nan 8.290 nan 0.000 0.480 52 C N 3.351 122.053 119.300 -0.996 0.000 3.287 52 C HA 0.742 5.202 4.460 -0.000 0.000 0.260 52 C C -0.705 174.046 174.990 -0.398 0.000 1.133 52 C CA -0.642 58.030 59.018 -0.577 0.000 1.402 52 C CB -1.851 25.694 27.740 -0.327 0.000 1.832 52 C HN 0.729 nan 8.230 nan 0.000 0.509 53 L N 4.431 125.470 121.223 -0.306 0.000 2.466 53 L HA 0.579 4.919 4.340 -0.000 0.000 0.258 53 L C -0.428 176.532 176.870 0.151 0.000 0.973 53 L CA -0.329 54.497 54.840 -0.023 0.000 0.826 53 L CB 1.421 43.601 42.059 0.202 0.000 1.372 53 L HN 0.524 nan 8.230 nan 0.000 0.409 54 H N 4.236 123.417 119.070 0.185 0.000 3.232 54 H HA -0.111 4.445 4.556 -0.000 0.000 0.276 54 H C 0.135 175.580 175.328 0.196 0.000 0.882 54 H CA 0.494 56.634 56.048 0.154 0.000 1.415 54 H CB 0.321 30.149 29.762 0.109 0.000 1.405 54 H HN 0.459 nan 8.280 nan 0.000 0.543 55 M N 4.689 124.439 119.600 0.250 0.000 3.436 55 M HA 0.028 4.508 4.480 -0.000 0.000 0.240 55 M C 0.060 176.405 176.300 0.076 0.000 1.469 55 M CA -0.200 55.195 55.300 0.158 0.000 1.622 55 M CB -0.754 31.928 32.600 0.136 0.000 1.098 55 M HN 0.616 nan 8.290 nan 0.000 0.568 56 T N -1.826 112.786 114.554 0.096 0.000 2.889 56 T HA 0.484 4.833 4.350 -0.000 0.000 0.278 56 T C 1.081 175.811 174.700 0.050 0.000 0.995 56 T CA -0.905 61.231 62.100 0.060 0.000 0.966 56 T CB 0.773 69.709 68.868 0.115 0.000 1.237 56 T HN 0.083 nan 8.240 nan 0.000 0.591 57 V N 1.072 121.035 119.914 0.083 0.000 2.343 57 V HA -0.116 4.004 4.120 -0.000 0.000 0.247 57 V C 2.737 178.889 176.094 0.098 0.000 1.051 57 V CA 2.113 64.475 62.300 0.103 0.000 1.036 57 V CB -1.162 30.762 31.823 0.169 0.000 0.654 57 V HN 0.857 nan 8.190 nan 0.000 0.451 58 E N -0.758 119.539 120.200 0.161 0.000 2.110 58 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 58 E C 2.182 178.981 176.600 0.332 0.000 0.988 58 E CA 1.525 58.087 56.400 0.270 0.000 0.804 58 E CB -0.813 29.072 29.700 0.307 0.000 0.745 58 E HN 0.652 nan 8.360 nan 0.000 0.458 59 C N 0.253 119.674 119.300 0.201 0.000 2.435 59 C HA 0.094 4.554 4.460 -0.000 0.000 0.279 59 C C 2.702 177.495 174.990 -0.328 0.000 1.321 59 C CA 0.901 59.845 59.018 -0.125 0.000 1.752 59 C CB -1.041 26.700 27.740 0.001 0.000 1.959 59 C HN 0.477 nan 8.230 nan 0.000 0.500 60 A N 0.471 123.176 122.820 -0.191 0.000 1.902 60 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 60 A C 2.174 179.629 177.584 -0.216 0.000 1.181 60 A CA 1.702 53.603 52.037 -0.227 0.000 0.623 60 A CB -0.696 18.238 19.000 -0.110 0.000 0.818 60 A HN 0.663 nan 8.150 nan 0.000 0.443 61 L N -0.925 120.222 121.223 -0.127 0.000 2.201 61 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 61 L C 2.489 179.258 176.870 -0.167 0.000 1.105 61 L CA 0.812 55.592 54.840 -0.101 0.000 0.775 61 L CB -0.427 41.624 42.059 -0.014 0.000 0.913 61 L HN 0.505 nan 8.230 nan 0.000 0.440 62 L N -0.090 120.954 121.223 -0.298 0.000 2.044 62 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 62 L C 2.382 179.008 176.870 -0.406 0.000 1.075 62 L CA 1.665 56.250 54.840 -0.425 0.000 0.747 62 L CB -0.379 41.137 42.059 -0.904 0.000 0.903 62 L HN 0.013 nan 8.230 nan 0.000 0.435 63 I N 0.174 120.422 120.570 -0.538 0.000 2.163 63 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 63 I C 2.578 178.520 176.117 -0.293 0.000 1.085 63 I CA 1.775 62.757 61.300 -0.530 0.000 1.347 63 I CB -1.496 36.123 38.000 -0.634 0.000 1.044 63 I HN 0.525 nan 8.210 nan 0.000 0.408 64 E N 0.648 120.705 120.200 -0.238 0.000 2.118 64 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 64 E C 2.055 178.578 176.600 -0.128 0.000 0.992 64 E CA 1.939 58.246 56.400 -0.155 0.000 0.804 64 E CB 0.124 29.749 29.700 -0.125 0.000 0.741 64 E HN 0.439 nan 8.360 nan 0.000 0.458 65 T N 1.094 115.564 114.554 -0.141 0.000 2.777 65 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 65 T C 1.851 176.486 174.700 -0.107 0.000 1.040 65 T CA 1.021 63.054 62.100 -0.112 0.000 1.141 65 T CB -0.127 68.670 68.868 -0.117 0.000 0.868 65 T HN 0.148 nan 8.240 nan 0.000 0.444 66 L N 1.113 122.258 121.223 -0.130 0.000 2.017 66 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 66 L C 2.926 179.740 176.870 -0.094 0.000 1.073 66 L CA 1.529 56.304 54.840 -0.108 0.000 0.745 66 L CB -0.651 41.353 42.059 -0.092 0.000 0.894 66 L HN 0.363 nan 8.230 nan 0.000 0.432 67 Q N 0.544 120.288 119.800 -0.094 0.000 2.167 67 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 67 Q C 1.846 177.810 176.000 -0.060 0.000 0.970 67 Q CA 1.527 57.287 55.803 -0.071 0.000 0.855 67 Q CB -0.322 28.375 28.738 -0.069 0.000 0.911 67 Q HN 0.273 nan 8.270 nan 0.000 0.438 68 K N 0.057 120.421 120.400 -0.061 0.000 2.442 68 K HA 0.064 4.384 4.320 -0.000 0.000 0.198 68 K C 1.298 177.881 176.600 -0.028 0.000 1.042 68 K CA 0.650 56.913 56.287 -0.041 0.000 0.958 68 K CB 0.054 32.529 32.500 -0.041 0.000 0.766 68 K HN 0.308 nan 8.250 nan 0.000 0.474 69 L N -0.623 120.576 121.223 -0.040 0.000 2.592 69 L HA 0.109 4.449 4.340 -0.000 0.000 0.227 69 L C 0.996 177.839 176.870 -0.045 0.000 1.127 69 L CA 0.287 55.111 54.840 -0.025 0.000 0.884 69 L CB 0.292 42.325 42.059 -0.043 0.000 1.065 69 L HN 0.394 nan 8.230 nan 0.000 0.457 70 G N -0.056 108.710 108.800 -0.057 0.000 2.163 70 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.213 70 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.213 70 G C 0.236 175.070 174.900 -0.110 0.000 0.991 70 G CA -0.062 45.000 45.100 -0.064 0.000 0.653 70 G HN 0.436 nan 8.290 nan 0.000 0.518 71 A N -0.435 122.306 122.820 -0.133 0.000 2.269 71 A HA 0.838 5.157 4.320 -0.000 0.000 0.319 71 A C 0.253 177.805 177.584 -0.053 0.000 1.110 71 A CA -0.231 51.709 52.037 -0.163 0.000 0.847 71 A CB 0.699 19.575 19.000 -0.207 0.000 1.161 71 A HN 0.434 nan 8.150 nan 0.000 0.497 72 Q N -0.345 119.454 119.800 -0.003 0.000 2.245 72 Q HA 0.623 4.963 4.340 -0.000 0.000 0.256 72 Q C -1.550 174.646 176.000 0.326 0.000 0.942 72 Q CA -0.260 55.639 55.803 0.161 0.000 0.896 72 Q CB 1.963 30.854 28.738 0.255 0.000 1.272 72 Q HN 0.582 nan 8.270 nan 0.000 0.442 73 I N 1.301 122.047 120.570 0.292 0.000 2.647 73 I HA 0.431 4.600 4.170 -0.000 0.000 0.295 73 I C -0.642 175.556 176.117 0.135 0.000 1.078 73 I CA -0.423 61.065 61.300 0.313 0.000 1.048 73 I CB 2.074 40.190 38.000 0.194 0.000 1.239 73 I HN 0.367 nan 8.210 nan 0.000 0.421 74 R N 4.411 124.995 120.500 0.140 0.000 2.513 74 R HA 0.486 4.826 4.340 -0.000 0.000 0.301 74 R C -1.777 174.652 176.300 0.215 0.000 0.968 74 R CA -0.714 55.350 56.100 -0.059 0.000 0.872 74 R CB 2.389 32.387 30.300 -0.502 0.000 1.177 74 R HN 0.594 nan 8.270 nan 0.000 0.444 75 W N 3.585 124.857 121.300 -0.047 0.000 3.033 75 W HA 0.532 5.192 4.660 0.000 0.000 0.336 75 W C -0.969 175.565 176.519 0.024 0.000 1.173 75 W CA -0.580 56.755 57.345 -0.018 0.000 1.185 75 W CB 2.063 31.488 29.460 -0.057 0.000 1.425 75 W HN 0.755 nan 8.180 nan 0.000 0.536 76 C N 0.979 120.304 119.300 0.041 0.000 3.291 76 C HA 0.784 5.243 4.460 -0.000 0.000 0.316 76 C C -0.091 174.898 174.990 -0.001 0.000 1.391 76 C CA -0.670 58.377 59.018 0.049 0.000 1.394 76 C CB 1.254 28.941 27.740 -0.089 0.000 1.744 76 C HN 0.596 nan 8.230 nan 0.000 0.461 77 S N -0.826 114.875 115.700 0.002 0.000 2.646 77 S HA 0.504 4.973 4.470 -0.000 0.000 0.276 77 S C 0.883 175.465 174.600 -0.030 0.000 1.222 77 S CA -0.054 58.156 58.200 0.017 0.000 1.014 77 S CB 0.666 63.892 63.200 0.044 0.000 0.991 77 S HN 1.649 nan 8.310 nan 0.000 0.533 78 C N 2.761 121.995 119.300 -0.110 0.000 2.780 78 C HA 0.540 5.000 4.460 -0.000 0.000 0.287 78 C C 0.340 175.284 174.990 -0.076 0.000 1.288 78 C CA -0.904 58.077 59.018 -0.062 0.000 1.713 78 C CB -1.954 25.636 27.740 -0.249 0.000 1.955 78 C HN 0.709 nan 8.230 nan 0.000 0.613 79 N N 1.048 119.705 118.700 -0.073 0.000 2.367 79 N HA 0.295 5.035 4.740 -0.000 0.000 0.278 79 N C 0.342 175.728 175.510 -0.207 0.000 1.117 79 N CA -0.411 52.532 53.050 -0.178 0.000 0.867 79 N CB 1.634 40.163 38.487 0.069 0.000 1.649 79 N HN 0.404 nan 8.380 nan 0.000 0.479 80 I N 0.112 120.406 120.570 -0.460 0.000 3.334 80 I HA 0.042 4.212 4.170 -0.000 0.000 0.282 80 I C 0.062 175.969 176.117 -0.350 0.000 1.313 80 I CA 0.741 61.759 61.300 -0.469 0.000 1.396 80 I CB -0.223 37.383 38.000 -0.657 0.000 1.054 80 I HN 0.433 nan 8.210 nan 0.000 0.495 81 Y N 0.513 120.797 120.300 -0.028 0.000 2.423 81 Y HA 0.127 4.677 4.550 -0.000 0.000 0.257 81 Y C 2.638 178.554 175.900 0.026 0.000 1.087 81 Y CA 0.124 58.227 58.100 0.004 0.000 1.258 81 Y CB 0.363 38.822 38.460 -0.001 0.000 1.237 81 Y HN 0.217 nan 8.280 nan 0.000 0.517 82 S N -0.646 115.165 115.700 0.185 0.000 2.481 82 S HA -0.029 4.440 4.470 -0.000 0.000 0.231 82 S C 0.829 175.506 174.600 0.129 0.000 0.996 82 S CA 0.199 58.497 58.200 0.165 0.000 0.942 82 S CB -0.674 62.715 63.200 0.314 0.000 0.768 82 S HN 0.063 nan 8.310 nan 0.000 0.520 83 T N 3.221 117.840 114.554 0.109 0.000 2.888 83 T HA 0.495 4.845 4.350 -0.000 0.000 0.301 83 T C 0.060 174.764 174.700 0.006 0.000 1.001 83 T CA 0.289 62.430 62.100 0.067 0.000 1.147 83 T CB 0.851 69.758 68.868 0.066 0.000 0.931 83 T HN 0.468 nan 8.240 nan 0.000 0.541 84 A N 3.509 126.269 122.820 -0.099 0.000 2.280 84 A HA 0.370 4.689 4.320 -0.000 0.000 0.320 84 A C 1.183 178.557 177.584 -0.351 0.000 1.366 84 A CA -0.772 51.059 52.037 -0.344 0.000 0.938 84 A CB 0.203 18.835 19.000 -0.612 0.000 1.157 84 A HN 0.818 nan 8.150 nan 0.000 0.536 85 D N 1.570 121.864 120.400 -0.176 0.000 2.172 85 D HA -0.258 4.382 4.640 -0.000 0.000 0.196 85 D C 1.455 177.758 176.300 0.006 0.000 0.999 85 D CA 2.494 56.484 54.000 -0.016 0.000 0.856 85 D CB -0.231 40.617 40.800 0.079 0.000 0.934 85 D HN 0.917 nan 8.370 nan 0.000 0.453 86 Y N 0.016 120.398 120.300 0.137 0.000 2.352 86 Y HA 0.186 4.736 4.550 0.000 0.000 0.292 86 Y C 2.289 178.274 175.900 0.142 0.000 1.136 86 Y CA 0.679 58.888 58.100 0.180 0.000 1.227 86 Y CB -0.779 37.901 38.460 0.368 0.000 0.991 86 Y HN -0.067 nan 8.280 nan 0.000 0.545 87 A N 1.161 123.936 122.820 -0.074 0.000 1.930 87 A HA 0.191 4.511 4.320 -0.000 0.000 0.215 87 A C 2.441 180.015 177.584 -0.017 0.000 1.176 87 A CA 1.169 53.205 52.037 -0.003 0.000 0.632 87 A CB -1.158 17.785 19.000 -0.094 0.000 0.819 87 A HN 0.548 nan 8.150 nan 0.000 0.445 88 A N 0.085 122.890 122.820 -0.024 0.000 1.930 88 A HA 0.200 4.519 4.320 -0.000 0.000 0.217 88 A C 2.462 180.053 177.584 0.012 0.000 1.175 88 A CA 1.923 53.961 52.037 0.001 0.000 0.627 88 A CB -0.907 18.125 19.000 0.054 0.000 0.815 88 A HN 0.937 nan 8.150 nan 0.000 0.443 89 A N -0.056 122.792 122.820 0.045 0.000 1.873 89 A HA 0.183 4.503 4.320 -0.000 0.000 0.215 89 A C 2.526 180.130 177.584 0.033 0.000 1.186 89 A CA 2.070 54.136 52.037 0.048 0.000 0.616 89 A CB -1.080 17.971 19.000 0.085 0.000 0.823 89 A HN 1.025 nan 8.150 nan 0.000 0.442 90 A N -0.799 122.052 122.820 0.052 0.000 1.877 90 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 90 A C 2.343 179.916 177.584 -0.020 0.000 1.186 90 A CA 1.891 53.946 52.037 0.030 0.000 0.620 90 A CB -1.140 17.893 19.000 0.055 0.000 0.822 90 A HN 0.761 nan 8.150 nan 0.000 0.443 91 V N 1.031 120.916 119.914 -0.049 0.000 2.515 91 V HA -0.167 3.953 4.120 -0.000 0.000 0.250 91 V C 2.723 178.760 176.094 -0.095 0.000 1.058 91 V CA 2.606 64.846 62.300 -0.100 0.000 1.064 91 V CB -0.478 31.244 31.823 -0.169 0.000 0.675 91 V HN 0.811 nan 8.190 nan 0.000 0.461 92 S N -1.865 113.789 115.700 -0.077 0.000 2.537 92 S HA -0.170 4.300 4.470 -0.000 0.000 0.240 92 S C 1.723 176.285 174.600 -0.063 0.000 0.981 92 S CA 1.670 59.820 58.200 -0.084 0.000 0.948 92 S CB -0.549 62.607 63.200 -0.073 0.000 0.759 92 S HN 0.609 nan 8.310 nan 0.000 0.531 93 T N 2.166 116.692 114.554 -0.047 0.000 2.978 93 T HA 0.262 4.612 4.350 -0.000 0.000 0.262 93 T C 0.670 175.347 174.700 -0.039 0.000 1.063 93 T CA 0.089 62.169 62.100 -0.034 0.000 1.140 93 T CB -0.222 68.634 68.868 -0.020 0.000 0.886 93 T HN 0.235 nan 8.240 nan 0.000 0.470 94 L N 2.422 123.614 121.223 -0.052 0.000 2.499 94 L HA 0.143 4.483 4.340 -0.000 0.000 0.281 94 L C 0.846 177.691 176.870 -0.043 0.000 1.234 94 L CA 0.426 55.236 54.840 -0.051 0.000 0.839 94 L CB -0.030 41.987 42.059 -0.070 0.000 1.104 94 L HN 0.268 nan 8.230 nan 0.000 0.500 95 E N 2.438 122.618 120.200 -0.032 0.000 2.373 95 E HA 0.033 4.383 4.350 -0.000 0.000 0.267 95 E C 0.315 176.906 176.600 -0.016 0.000 1.032 95 E CA -0.178 56.210 56.400 -0.020 0.000 0.889 95 E CB 0.293 29.985 29.700 -0.013 0.000 0.984 95 E HN 0.428 nan 8.360 nan 0.000 0.425 96 N N -0.240 118.459 118.700 -0.002 0.000 2.741 96 N HA -0.161 4.578 4.740 -0.000 0.000 0.250 96 N C -0.991 174.527 175.510 0.014 0.000 1.115 96 N CA 0.629 53.692 53.050 0.022 0.000 0.724 96 N CB -1.215 37.292 38.487 0.035 0.000 1.090 96 N HN 0.158 nan 8.380 nan 0.000 0.558 97 V N 0.585 120.482 119.914 -0.029 0.000 2.483 97 V HA 0.487 4.607 4.120 -0.000 0.000 0.297 97 V C 0.238 176.267 176.094 -0.108 0.000 1.027 97 V CA -0.399 61.867 62.300 -0.056 0.000 0.855 97 V CB 2.337 34.111 31.823 -0.082 0.000 0.995 97 V HN 0.094 nan 8.190 nan 0.000 0.424 98 T N 4.178 118.641 114.554 -0.152 0.000 2.841 98 T HA 0.721 5.071 4.350 -0.000 0.000 0.283 98 T C -0.583 173.883 174.700 -0.389 0.000 1.000 98 T CA -0.480 61.445 62.100 -0.292 0.000 0.977 98 T CB 1.939 70.624 68.868 -0.306 0.000 0.979 98 T HN 0.345 nan 8.240 nan 0.000 0.446 99 V N 3.210 122.797 119.914 -0.545 0.000 2.735 99 V HA 0.612 4.731 4.120 -0.000 0.000 0.310 99 V C -1.299 174.389 176.094 -0.677 0.000 1.061 99 V CA -0.913 61.139 62.300 -0.412 0.000 0.913 99 V CB 1.740 33.475 31.823 -0.146 0.000 1.005 99 V HN 0.902 nan 8.190 nan 0.000 0.428 100 F N 2.991 123.027 119.950 0.143 0.000 2.691 100 F HA 0.820 5.347 4.527 -0.000 0.000 0.371 100 F C 0.215 176.109 175.800 0.156 0.000 1.159 100 F CA -0.304 57.833 58.000 0.228 0.000 1.174 100 F CB 1.605 40.685 39.000 0.133 0.000 1.419 100 F HN 0.623 nan 8.300 nan 0.000 0.514 101 A N 2.536 125.562 122.820 0.344 0.000 2.582 101 A HA 0.786 5.106 4.320 -0.000 0.000 0.297 101 A C -2.163 175.617 177.584 0.326 0.000 1.059 101 A CA -0.795 51.318 52.037 0.127 0.000 0.705 101 A CB 0.949 20.010 19.000 0.101 0.000 1.279 101 A HN 0.765 nan 8.150 nan 0.000 0.404 102 W N 1.001 122.367 121.300 0.110 0.000 3.275 102 W HA 0.692 5.351 4.660 -0.000 0.000 0.306 102 W C -0.926 175.647 176.519 0.090 0.000 1.259 102 W CA -0.786 56.608 57.345 0.082 0.000 1.194 102 W CB 0.831 30.337 29.460 0.076 0.000 1.375 102 W HN 0.783 nan 8.180 nan 0.000 0.564 103 K N 2.618 123.188 120.400 0.283 0.000 2.326 103 K HA 0.118 4.438 4.320 -0.000 0.000 0.275 103 K C 0.452 177.231 176.600 0.298 0.000 1.018 103 K CA 0.322 56.739 56.287 0.217 0.000 0.962 103 K CB 0.165 32.775 32.500 0.183 0.000 0.953 103 K HN 0.709 nan 8.250 nan 0.000 0.475 104 N N 2.076 120.945 118.700 0.282 0.000 2.783 104 N HA -0.162 4.577 4.740 -0.000 0.000 0.247 104 N C -1.232 174.433 175.510 0.259 0.000 1.089 104 N CA 1.167 54.411 53.050 0.324 0.000 0.690 104 N CB -1.087 37.576 38.487 0.293 0.000 0.991 104 N HN 0.743 nan 8.380 nan 0.000 0.552 105 E N -0.462 119.769 120.200 0.052 0.000 2.343 105 E HA 0.389 4.739 4.350 -0.000 0.000 0.269 105 E C 0.836 177.447 176.600 0.019 0.000 1.047 105 E CA -0.645 55.761 56.400 0.009 0.000 0.874 105 E CB 0.729 30.070 29.700 -0.598 0.000 1.033 105 E HN 0.265 nan 8.360 nan 0.000 0.409 106 T N -0.184 114.443 114.554 0.122 0.000 2.813 106 T HA 0.107 4.456 4.350 -0.000 0.000 0.297 106 T C 1.266 176.002 174.700 0.060 0.000 1.036 106 T CA -0.650 61.504 62.100 0.090 0.000 1.044 106 T CB 0.508 69.455 68.868 0.132 0.000 0.993 106 T HN 0.538 nan 8.240 nan 0.000 0.535 107 L N 0.158 121.417 121.223 0.059 0.000 2.131 107 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 107 L C 3.048 180.075 176.870 0.261 0.000 1.092 107 L CA 1.666 56.567 54.840 0.102 0.000 0.759 107 L CB -0.573 41.556 42.059 0.116 0.000 0.903 107 L HN 0.886 nan 8.230 nan 0.000 0.435 108 E N 0.499 120.837 120.200 0.228 0.000 2.072 108 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 108 E C 1.911 178.679 176.600 0.279 0.000 0.985 108 E CA 1.156 57.713 56.400 0.263 0.000 0.801 108 E CB 0.138 29.942 29.700 0.173 0.000 0.750 108 E HN 0.543 nan 8.360 nan 0.000 0.452 109 E N -0.426 119.905 120.200 0.219 0.000 2.150 109 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 109 E C 1.844 178.541 176.600 0.163 0.000 0.985 109 E CA 0.850 57.390 56.400 0.233 0.000 0.814 109 E CB -0.245 29.624 29.700 0.282 0.000 0.752 109 E HN 0.338 nan 8.360 nan 0.000 0.466 110 Y N 0.309 120.557 120.300 -0.087 0.000 2.097 110 Y HA -0.274 4.276 4.550 -0.000 0.000 0.282 110 Y C 1.644 177.405 175.900 -0.232 0.000 1.152 110 Y CA 1.760 59.685 58.100 -0.291 0.000 1.136 110 Y CB -0.565 37.606 38.460 -0.481 0.000 0.975 110 Y HN 0.051 nan 8.280 nan 0.000 0.498 111 W N -1.278 120.027 121.300 0.007 0.000 2.374 111 W HA -0.174 4.486 4.660 -0.000 0.000 0.288 111 W C 2.259 178.744 176.519 -0.056 0.000 1.218 111 W CA 0.888 58.190 57.345 -0.072 0.000 1.245 111 W CB -0.921 28.606 29.460 0.113 0.000 1.126 111 W HN 0.325 nan 8.180 nan 0.000 0.545 112 W N 0.029 121.374 121.300 0.074 0.000 2.358 112 W HA -0.252 4.408 4.660 -0.000 0.000 0.303 112 W C 2.138 178.589 176.519 -0.113 0.000 1.208 112 W CA 1.933 59.285 57.345 0.011 0.000 1.274 112 W CB -0.769 28.721 29.460 0.049 0.000 1.138 112 W HN -0.243 nan 8.180 nan 0.000 0.515 113 C N -0.568 118.732 119.300 0.001 0.000 2.446 113 C HA -0.172 4.288 4.460 -0.000 0.000 0.277 113 C C 2.753 177.522 174.990 -0.368 0.000 1.275 113 C CA 1.195 60.089 59.018 -0.207 0.000 1.727 113 C CB -1.332 26.350 27.740 -0.097 0.000 2.010 113 C HN 0.241 nan 8.230 nan 0.000 0.486 114 V N 0.845 120.531 119.914 -0.380 0.000 2.261 114 V HA -0.253 3.866 4.120 -0.000 0.000 0.246 114 V C 2.469 178.455 176.094 -0.180 0.000 1.047 114 V CA 2.363 64.487 62.300 -0.294 0.000 1.015 114 V CB -0.829 30.835 31.823 -0.264 0.000 0.642 114 V HN 0.619 nan 8.190 nan 0.000 0.446 115 E N 0.217 120.330 120.200 -0.145 0.000 2.058 115 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 115 E C 2.324 178.739 176.600 -0.307 0.000 0.997 115 E CA 1.720 58.078 56.400 -0.069 0.000 0.801 115 E CB -0.118 29.558 29.700 -0.040 0.000 0.746 115 E HN 0.586 nan 8.360 nan 0.000 0.450 116 S N 0.313 115.576 115.700 -0.728 0.000 2.368 116 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 116 S C 2.014 176.167 174.600 -0.744 0.000 1.030 116 S CA 0.975 58.543 58.200 -1.053 0.000 0.999 116 S CB -0.235 61.734 63.200 -2.051 0.000 0.844 116 S HN 0.490 nan 8.310 nan 0.000 0.459 117 A N 1.099 123.628 122.820 -0.485 0.000 1.933 117 A HA 0.040 4.359 4.320 -0.000 0.000 0.218 117 A C 2.014 179.518 177.584 -0.133 0.000 1.175 117 A CA 1.077 53.016 52.037 -0.164 0.000 0.628 117 A CB -0.565 18.398 19.000 -0.061 0.000 0.814 117 A HN 0.467 nan 8.150 nan 0.000 0.444 118 L N -0.404 120.794 121.223 -0.042 0.000 2.418 118 L HA 0.007 4.347 4.340 -0.000 0.000 0.218 118 L C 0.225 177.214 176.870 0.198 0.000 1.125 118 L CA 0.386 55.325 54.840 0.166 0.000 0.835 118 L CB -0.141 42.093 42.059 0.292 0.000 0.953 118 L HN 0.152 nan 8.230 nan 0.000 0.454 119 T N -0.373 114.164 114.554 -0.028 0.000 2.762 119 T HA 0.136 4.486 4.350 -0.000 0.000 0.303 119 T C -0.825 173.827 174.700 -0.079 0.000 0.977 119 T CA -0.258 61.812 62.100 -0.050 0.000 0.961 119 T CB 0.067 68.827 68.868 -0.181 0.000 0.944 119 T HN 0.081 nan 8.240 nan 0.000 0.481 120 W N 3.679 124.944 121.300 -0.058 0.000 1.978 120 W HA 0.519 5.178 4.660 -0.000 0.000 0.373 120 W C 1.203 177.703 176.519 -0.032 0.000 0.813 120 W CA -0.106 57.225 57.345 -0.024 0.000 1.571 120 W CB -0.373 29.081 29.460 -0.009 0.000 1.746 120 W HN 1.158 nan 8.180 nan 0.000 0.302 121 G N 2.151 111.001 108.800 0.084 0.000 2.554 121 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.253 121 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.253 121 G C -0.661 174.245 174.900 0.011 0.000 1.172 121 G CA 0.261 45.393 45.100 0.053 0.000 0.950 121 G HN 0.518 nan 8.290 nan 0.000 0.557 122 D N -0.921 119.487 120.400 0.013 0.000 2.648 122 D HA 0.673 5.312 4.640 -0.000 0.000 0.244 122 D C 0.707 176.998 176.300 -0.014 0.000 1.244 122 D CA 1.372 55.361 54.000 -0.019 0.000 0.772 122 D CB 0.922 41.708 40.800 -0.025 0.000 1.379 122 D HN 2.338 nan 8.370 nan 0.000 0.428 123 G N 0.730 109.511 108.800 -0.032 0.000 2.488 123 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.237 123 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.237 123 G C -0.925 173.961 174.900 -0.024 0.000 1.209 123 G CA -0.109 44.975 45.100 -0.026 0.000 0.929 123 G HN 0.821 nan 8.290 nan 0.000 0.578 124 D N 2.329 122.721 120.400 -0.014 0.000 2.443 124 D HA 0.396 5.036 4.640 -0.000 0.000 0.239 124 D C 0.256 176.551 176.300 -0.010 0.000 1.136 124 D CA 1.287 55.279 54.000 -0.013 0.000 0.879 124 D CB 0.256 41.051 40.800 -0.008 0.000 1.195 124 D HN 0.582 nan 8.370 nan 0.000 0.443 125 D N 1.223 121.613 120.400 -0.017 0.000 3.082 125 D HA -0.197 4.442 4.640 -0.000 0.000 0.234 125 D C 0.319 176.617 176.300 -0.004 0.000 1.159 125 D CA 0.312 54.299 54.000 -0.022 0.000 0.875 125 D CB -1.028 39.757 40.800 -0.026 0.000 0.946 125 D HN 0.346 nan 8.370 nan 0.000 0.411 126 N N -0.093 118.603 118.700 -0.006 0.000 2.236 126 N HA 0.218 4.957 4.740 -0.000 0.000 0.196 126 N C 0.611 176.173 175.510 0.087 0.000 1.114 126 N CA 0.652 53.716 53.050 0.024 0.000 0.859 126 N CB 0.694 39.149 38.487 -0.053 0.000 0.982 126 N HN 0.421 nan 8.380 nan 0.000 0.493 127 G N -0.307 108.516 108.800 0.040 0.000 2.932 127 G HA2 0.523 4.483 3.960 -0.000 0.000 0.283 127 G HA3 0.523 4.483 3.960 -0.000 0.000 0.283 127 G C -2.853 171.945 174.900 -0.169 0.000 1.336 127 G CA -1.204 43.944 45.100 0.081 0.000 1.056 127 G HN -0.023 nan 8.290 nan 0.000 0.522 128 P HA 0.304 nan 4.420 nan 0.000 0.279 128 P C -0.494 176.635 177.300 -0.285 0.000 1.276 128 P CA -0.352 62.478 63.100 -0.449 0.000 0.801 128 P CB 2.201 33.876 31.700 -0.042 0.000 1.127 129 D N -0.491 119.747 120.400 -0.270 0.000 2.216 129 D HA 0.132 4.772 4.640 -0.000 0.000 0.208 129 D C 0.750 177.015 176.300 -0.059 0.000 0.960 129 D CA 1.581 55.529 54.000 -0.085 0.000 0.861 129 D CB 0.274 41.134 40.800 0.100 0.000 0.985 129 D HN 0.365 nan 8.370 nan 0.000 0.493 130 M N 0.211 119.767 119.600 -0.073 0.000 2.575 130 M HA 0.452 4.932 4.480 -0.000 0.000 0.284 130 M C -1.154 175.105 176.300 -0.068 0.000 1.253 130 M CA -0.597 54.666 55.300 -0.061 0.000 0.861 130 M CB 3.475 36.084 32.600 0.016 0.000 1.733 130 M HN -0.322 nan 8.290 nan 0.000 0.462 131 I N 1.325 121.845 120.570 -0.082 0.000 2.545 131 I HA 0.507 4.676 4.170 -0.000 0.000 0.292 131 I C -0.985 175.098 176.117 -0.057 0.000 1.040 131 I CA -1.073 60.183 61.300 -0.073 0.000 1.068 131 I CB 2.387 40.340 38.000 -0.078 0.000 1.251 131 I HN 0.305 nan 8.210 nan 0.000 0.424 132 V N 4.628 124.468 119.914 -0.122 0.000 2.313 132 V HA 0.369 4.489 4.120 -0.000 0.000 0.278 132 V C -0.550 175.434 176.094 -0.184 0.000 1.017 132 V CA -0.383 61.850 62.300 -0.111 0.000 0.823 132 V CB 1.259 33.026 31.823 -0.092 0.000 1.010 132 V HN 0.608 nan 8.190 nan 0.000 0.443 133 D N 2.782 123.138 120.400 -0.073 0.000 2.340 133 D HA 0.456 5.096 4.640 -0.000 0.000 0.243 133 D C -1.046 175.241 176.300 -0.023 0.000 0.988 133 D CA -0.311 53.648 54.000 -0.068 0.000 0.959 133 D CB 2.406 43.205 40.800 -0.002 0.000 1.226 133 D HN 0.548 nan 8.370 nan 0.000 0.509 134 D N 0.355 120.733 120.400 -0.037 0.000 2.381 134 D HA 0.396 5.036 4.640 -0.000 0.000 0.245 134 D C 0.493 176.773 176.300 -0.033 0.000 1.297 134 D CA -0.201 53.789 54.000 -0.017 0.000 0.931 134 D CB 0.116 40.899 40.800 -0.029 0.000 1.334 134 D HN 0.612 nan 8.370 nan 0.000 0.535 135 G N 1.306 110.108 108.800 0.003 0.000 2.380 135 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.197 135 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.197 135 G C 1.028 176.013 174.900 0.142 0.000 1.001 135 G CA 0.362 45.480 45.100 0.030 0.000 0.668 135 G HN 1.378 nan 8.290 nan 0.000 0.483 136 G N -0.034 108.826 108.800 0.099 0.000 2.141 136 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.242 136 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.242 136 G C 0.677 175.659 174.900 0.137 0.000 0.982 136 G CA 1.150 46.314 45.100 0.106 0.000 0.662 136 G HN 0.605 nan 8.290 nan 0.000 0.527 137 D N 0.396 120.894 120.400 0.163 0.000 2.144 137 D HA 0.103 4.743 4.640 -0.000 0.000 0.200 137 D C 2.661 179.091 176.300 0.216 0.000 0.978 137 D CA 1.699 55.832 54.000 0.222 0.000 0.833 137 D CB -0.443 40.469 40.800 0.187 0.000 0.961 137 D HN 0.682 nan 8.370 nan 0.000 0.470 138 A N 0.113 122.995 122.820 0.103 0.000 1.873 138 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 138 A C 2.348 180.015 177.584 0.137 0.000 1.186 138 A CA 2.008 54.093 52.037 0.080 0.000 0.616 138 A CB -0.898 18.101 19.000 -0.002 0.000 0.823 138 A HN 0.205 nan 8.150 nan 0.000 0.442 139 T N 0.243 114.902 114.554 0.175 0.000 2.788 139 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 139 T C 1.821 176.681 174.700 0.267 0.000 1.044 139 T CA 1.512 63.786 62.100 0.291 0.000 1.139 139 T CB -0.378 68.628 68.868 0.230 0.000 0.867 139 T HN 0.316 nan 8.240 nan 0.000 0.454 140 L N 1.140 122.458 121.223 0.157 0.000 1.976 140 L HA 0.022 4.361 4.340 -0.000 0.000 0.209 140 L C 2.227 179.195 176.870 0.164 0.000 1.071 140 L CA 1.508 56.417 54.840 0.116 0.000 0.746 140 L CB -1.000 41.079 42.059 0.034 0.000 0.890 140 L HN 0.152 nan 8.230 nan 0.000 0.432 141 L N -0.967 120.356 121.223 0.167 0.000 2.051 141 L HA -0.222 4.118 4.340 -0.000 0.000 0.214 141 L C 2.363 178.983 176.870 -0.416 0.000 1.076 141 L CA 2.109 56.925 54.840 -0.041 0.000 0.758 141 L CB -0.754 41.246 42.059 -0.098 0.000 0.890 141 L HN 0.186 nan 8.230 nan 0.000 0.433 142 V N -1.074 118.701 119.914 -0.231 0.000 2.307 142 V HA -0.300 3.820 4.120 -0.000 0.000 0.245 142 V C 2.391 178.448 176.094 -0.061 0.000 1.045 142 V CA 2.031 64.231 62.300 -0.167 0.000 1.024 142 V CB -0.901 31.017 31.823 0.158 0.000 0.651 142 V HN 0.540 nan 8.190 nan 0.000 0.449 143 H N -0.084 118.983 119.070 -0.005 0.000 2.357 143 H HA -0.038 4.518 4.556 -0.000 0.000 0.301 143 H C 2.322 177.644 175.328 -0.010 0.000 1.082 143 H CA 1.246 57.285 56.048 -0.014 0.000 1.342 143 H CB 0.010 29.743 29.762 -0.048 0.000 1.389 143 H HN 0.155 nan 8.280 nan 0.000 0.511 144 K N -0.060 120.417 120.400 0.128 0.000 2.103 144 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 144 K C 2.345 179.014 176.600 0.116 0.000 1.052 144 K CA 0.921 57.300 56.287 0.153 0.000 0.945 144 K CB -0.540 32.149 32.500 0.315 0.000 0.722 144 K HN 0.417 nan 8.250 nan 0.000 0.443 145 G N 0.840 109.571 108.800 -0.115 0.000 2.421 145 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 145 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 145 G C 1.648 176.639 174.900 0.153 0.000 1.171 145 G CA 0.734 45.749 45.100 -0.141 0.000 0.775 145 G HN 0.126 nan 8.290 nan 0.000 0.543 146 V N 0.551 120.537 119.914 0.122 0.000 2.515 146 V HA -0.133 3.987 4.120 -0.000 0.000 0.250 146 V C 2.536 178.678 176.094 0.080 0.000 1.058 146 V CA 2.145 64.520 62.300 0.125 0.000 1.064 146 V CB -0.217 31.641 31.823 0.058 0.000 0.675 146 V HN 0.558 nan 8.190 nan 0.000 0.461 147 E N -0.688 119.536 120.200 0.040 0.000 2.047 147 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 147 E C 2.137 178.692 176.600 -0.074 0.000 0.987 147 E CA 1.457 57.827 56.400 -0.050 0.000 0.799 147 E CB -0.191 29.428 29.700 -0.135 0.000 0.752 147 E HN 0.717 nan 8.360 nan 0.000 0.449 148 Y N 0.781 121.099 120.300 0.029 0.000 2.314 148 Y HA -0.067 4.483 4.550 -0.000 0.000 0.293 148 Y C 2.139 178.089 175.900 0.084 0.000 1.129 148 Y CA 1.105 59.227 58.100 0.037 0.000 1.201 148 Y CB 0.190 38.642 38.460 -0.012 0.000 0.999 148 Y HN 0.107 nan 8.280 nan 0.000 0.541 149 E N 0.200 120.543 120.200 0.238 0.000 2.150 149 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 149 E C 1.985 178.698 176.600 0.188 0.000 0.985 149 E CA 1.120 57.648 56.400 0.212 0.000 0.814 149 E CB -0.023 29.790 29.700 0.189 0.000 0.752 149 E HN 0.354 nan 8.360 nan 0.000 0.466 150 K N 0.669 121.144 120.400 0.126 0.000 2.167 150 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 150 K C 2.092 178.735 176.600 0.072 0.000 1.052 150 K CA 0.334 56.669 56.287 0.080 0.000 0.956 150 K CB 0.111 32.635 32.500 0.040 0.000 0.735 150 K HN 0.058 nan 8.250 nan 0.000 0.451 151 L N 0.899 122.171 121.223 0.081 0.000 2.141 151 L HA -0.163 4.176 4.340 -0.000 0.000 0.209 151 L C 1.896 178.839 176.870 0.121 0.000 1.094 151 L CA 1.744 56.627 54.840 0.072 0.000 0.763 151 L CB -0.681 41.412 42.059 0.057 0.000 0.908 151 L HN 0.311 nan 8.230 nan 0.000 0.437 152 Y N 0.747 121.085 120.300 0.063 0.000 2.337 152 Y HA -0.137 4.413 4.550 -0.000 0.000 0.293 152 Y C 2.482 178.403 175.900 0.034 0.000 1.123 152 Y CA 1.448 59.581 58.100 0.054 0.000 1.201 152 Y CB 0.026 38.524 38.460 0.063 0.000 1.011 152 Y HN 0.247 nan 8.280 nan 0.000 0.545 153 E N -0.025 120.193 120.200 0.030 0.000 2.511 153 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 153 E C 0.870 177.423 176.600 -0.080 0.000 1.066 153 E CA 0.724 57.097 56.400 -0.044 0.000 0.871 153 E CB 0.218 29.947 29.700 0.049 0.000 0.863 153 E HN 0.708 nan 8.360 nan 0.000 0.520 154 E N -0.811 119.343 120.200 -0.077 0.000 2.444 154 E HA 0.056 4.406 4.350 -0.000 0.000 0.203 154 E C 1.163 177.717 176.600 -0.077 0.000 0.847 154 E CA -0.039 56.325 56.400 -0.061 0.000 1.142 154 E CB 0.504 30.188 29.700 -0.027 0.000 1.125 154 E HN -0.070 nan 8.360 nan 0.000 0.521 155 K N 0.597 120.954 120.400 -0.073 0.000 2.374 155 K HA 0.200 4.520 4.320 -0.000 0.000 0.202 155 K C -0.055 176.487 176.600 -0.096 0.000 1.040 155 K CA -0.093 56.158 56.287 -0.061 0.000 1.085 155 K CB 0.500 32.989 32.500 -0.017 0.000 0.873 155 K HN -0.005 nan 8.250 nan 0.000 0.539 156 N N 1.080 119.646 118.700 -0.223 0.000 2.735 156 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 156 N C -1.091 174.399 175.510 -0.033 0.000 1.083 156 N CA 0.403 53.211 53.050 -0.404 0.000 0.703 156 N CB -1.218 37.084 38.487 -0.307 0.000 1.005 156 N HN 0.292 nan 8.380 nan 0.000 0.550 157 I N 0.585 121.221 120.570 0.110 0.000 2.392 157 I HA 0.337 4.507 4.170 -0.000 0.000 0.295 157 I C 0.462 176.765 176.117 0.310 0.000 0.985 157 I CA -0.753 60.659 61.300 0.188 0.000 1.221 157 I CB 1.173 39.245 38.000 0.121 0.000 1.366 157 I HN -0.039 nan 8.210 nan 0.000 0.467 158 L N 6.949 128.301 121.223 0.214 0.000 2.334 158 L HA 0.519 4.859 4.340 -0.000 0.000 0.272 158 L C -2.187 174.700 176.870 0.028 0.000 1.020 158 L CA -1.861 53.041 54.840 0.104 0.000 0.812 158 L CB 1.612 43.677 42.059 0.009 0.000 1.264 158 L HN 0.368 nan 8.230 nan 0.000 0.439 159 P HA 0.052 nan 4.420 nan 0.000 0.275 159 P C -1.502 175.686 177.300 -0.188 0.000 1.276 159 P CA -0.319 62.596 63.100 -0.308 0.000 0.782 159 P CB 0.321 31.416 31.700 -1.008 0.000 0.851 160 D N 5.184 125.538 120.400 -0.076 0.000 2.280 160 D HA 0.095 4.735 4.640 -0.000 0.000 0.243 160 D C -1.830 174.436 176.300 -0.057 0.000 1.129 160 D CA -2.095 51.873 54.000 -0.054 0.000 0.848 160 D CB 1.409 42.203 40.800 -0.011 0.000 1.107 160 D HN 0.221 nan 8.370 nan 0.000 0.471 161 P HA -0.099 nan 4.420 nan 0.000 0.239 161 P C 0.679 177.967 177.300 -0.019 0.000 1.184 161 P CA 0.463 63.533 63.100 -0.050 0.000 0.760 161 P CB 0.504 32.172 31.700 -0.053 0.000 0.884 162 E N 1.923 122.115 120.200 -0.013 0.000 2.047 162 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 162 E C 1.510 178.113 176.600 0.006 0.000 0.987 162 E CA 1.115 57.515 56.400 -0.000 0.000 0.799 162 E CB -0.668 29.034 29.700 0.002 0.000 0.752 162 E HN 0.571 nan 8.360 nan 0.000 0.449 163 K N 1.309 121.715 120.400 0.009 0.000 2.706 163 K HA 0.325 4.645 4.320 -0.000 0.000 0.217 163 K C 0.207 176.816 176.600 0.015 0.000 1.019 163 K CA 0.125 56.422 56.287 0.017 0.000 1.181 163 K CB -0.064 32.453 32.500 0.028 0.000 0.940 163 K HN -0.111 nan 8.250 nan 0.000 0.491 164 A N 2.063 124.889 122.820 0.010 0.000 2.476 164 A HA 0.067 4.387 4.320 -0.000 0.000 0.275 164 A C 0.175 177.765 177.584 0.010 0.000 1.133 164 A CA -0.407 51.635 52.037 0.010 0.000 0.797 164 A CB 0.092 19.097 19.000 0.009 0.000 1.081 164 A HN 0.457 nan 8.150 nan 0.000 0.510 165 K N 1.362 121.766 120.400 0.007 0.000 2.522 165 K HA 0.057 4.377 4.320 -0.000 0.000 0.194 165 K C 0.087 176.685 176.600 -0.003 0.000 1.026 165 K CA 0.316 56.605 56.287 0.003 0.000 1.119 165 K CB -0.119 32.381 32.500 -0.000 0.000 0.856 165 K HN 0.774 nan 8.250 nan 0.000 0.513 166 N N -0.681 118.019 118.700 -0.001 0.000 3.521 166 N HA -0.045 4.695 4.740 -0.000 0.000 0.228 166 N C -0.153 175.364 175.510 0.013 0.000 1.328 166 N CA -0.318 52.730 53.050 -0.004 0.000 0.907 166 N CB 0.947 39.417 38.487 -0.027 0.000 1.487 166 N HN -0.250 nan 8.380 nan 0.000 0.503 167 E N 0.659 120.871 120.200 0.020 0.000 2.077 167 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 167 E C 0.768 177.411 176.600 0.071 0.000 0.989 167 E CA 1.126 57.551 56.400 0.041 0.000 0.800 167 E CB 0.114 29.839 29.700 0.041 0.000 0.746 167 E HN 0.703 nan 8.360 nan 0.000 0.452 168 E N 0.622 120.864 120.200 0.069 0.000 2.150 168 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 168 E C 1.863 178.575 176.600 0.186 0.000 0.985 168 E CA 0.877 57.374 56.400 0.163 0.000 0.814 168 E CB 0.006 29.762 29.700 0.093 0.000 0.752 168 E HN 0.318 nan 8.360 nan 0.000 0.466 169 E N 0.471 120.707 120.200 0.061 0.000 2.208 169 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 169 E C 2.261 178.886 176.600 0.041 0.000 0.988 169 E CA 0.325 56.739 56.400 0.023 0.000 0.828 169 E CB 0.012 29.702 29.700 -0.018 0.000 0.763 169 E HN 0.094 nan 8.360 nan 0.000 0.478 170 R N -0.072 120.451 120.500 0.039 0.000 2.075 170 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 170 R C 2.153 178.457 176.300 0.006 0.000 1.126 170 R CA 1.716 57.827 56.100 0.017 0.000 0.963 170 R CB -0.423 29.894 30.300 0.028 0.000 0.858 170 R HN 0.288 nan 8.270 nan 0.000 0.435 171 C N 0.307 119.647 119.300 0.067 0.000 2.435 171 C HA -0.043 4.417 4.460 -0.000 0.000 0.279 171 C C 2.324 177.259 174.990 -0.091 0.000 1.321 171 C CA 0.112 59.182 59.018 0.087 0.000 1.752 171 C CB -1.232 26.680 27.740 0.287 0.000 1.959 171 C HN 0.557 nan 8.230 nan 0.000 0.500 172 F N 1.582 121.250 119.950 -0.469 0.000 2.075 172 F HA -0.074 4.452 4.527 -0.000 0.000 0.297 172 F C 2.072 177.547 175.800 -0.543 0.000 1.113 172 F CA 1.584 59.027 58.000 -0.929 0.000 1.218 172 F CB -0.512 37.870 39.000 -1.029 0.000 0.984 172 F HN 0.089 nan 8.300 nan 0.000 0.472 173 L N -0.646 120.353 121.223 -0.373 0.000 2.093 173 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 173 L C 2.308 178.955 176.870 -0.373 0.000 1.085 173 L CA 1.633 56.214 54.840 -0.431 0.000 0.755 173 L CB -1.147 40.776 42.059 -0.228 0.000 0.904 173 L HN 0.138 nan 8.230 nan 0.000 0.435 174 T N 0.366 114.777 114.554 -0.239 0.000 2.746 174 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 174 T C 1.868 176.460 174.700 -0.181 0.000 1.039 174 T CA 1.472 63.475 62.100 -0.162 0.000 1.142 174 T CB -0.265 68.560 68.868 -0.072 0.000 0.866 174 T HN 0.191 nan 8.240 nan 0.000 0.444 175 L N 0.576 121.666 121.223 -0.223 0.000 2.046 175 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 175 L C 2.138 178.865 176.870 -0.238 0.000 1.077 175 L CA 1.548 56.281 54.840 -0.179 0.000 0.747 175 L CB -0.408 41.543 42.059 -0.181 0.000 0.896 175 L HN 0.231 nan 8.230 nan 0.000 0.432 176 L N -0.517 120.440 121.223 -0.444 0.000 2.109 176 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 176 L C 2.653 179.353 176.870 -0.283 0.000 1.086 176 L CA 1.439 56.033 54.840 -0.410 0.000 0.760 176 L CB -0.540 41.099 42.059 -0.700 0.000 0.910 176 L HN 0.329 nan 8.230 nan 0.000 0.437 177 K N 0.740 120.958 120.400 -0.305 0.000 2.026 177 K HA -0.195 4.124 4.320 -0.000 0.000 0.208 177 K C 1.708 178.206 176.600 -0.171 0.000 1.048 177 K CA 1.926 58.072 56.287 -0.236 0.000 0.929 177 K CB -0.097 32.281 32.500 -0.204 0.000 0.713 177 K HN 0.394 nan 8.250 nan 0.000 0.439 178 N N -0.044 118.578 118.700 -0.130 0.000 2.244 178 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 178 N C 1.825 177.290 175.510 -0.075 0.000 1.016 178 N CA 0.958 53.957 53.050 -0.085 0.000 0.866 178 N CB -0.034 38.425 38.487 -0.046 0.000 0.980 178 N HN 0.159 nan 8.380 nan 0.000 0.430 179 S N 1.113 116.778 115.700 -0.058 0.000 2.368 179 S HA -0.029 4.441 4.470 -0.000 0.000 0.225 179 S C 1.844 176.403 174.600 -0.068 0.000 1.030 179 S CA 0.804 58.993 58.200 -0.017 0.000 0.999 179 S CB -0.157 63.138 63.200 0.159 0.000 0.844 179 S HN 0.212 nan 8.310 nan 0.000 0.459 180 I N 1.124 121.635 120.570 -0.097 0.000 2.439 180 I HA -0.067 4.103 4.170 -0.000 0.000 0.251 180 I C 1.811 177.777 176.117 -0.253 0.000 1.139 180 I CA 0.818 62.014 61.300 -0.173 0.000 1.438 180 I CB -0.220 37.637 38.000 -0.238 0.000 1.085 180 I HN 0.282 nan 8.210 nan 0.000 0.427 181 L N 0.538 121.629 121.223 -0.220 0.000 2.551 181 L HA -0.106 4.234 4.340 -0.000 0.000 0.228 181 L C 2.355 179.157 176.870 -0.112 0.000 1.153 181 L CA 0.861 55.591 54.840 -0.183 0.000 0.851 181 L CB -0.328 41.650 42.059 -0.136 0.000 0.959 181 L HN 0.241 nan 8.230 nan 0.000 0.451 182 K N -0.065 120.272 120.400 -0.104 0.000 2.262 182 K HA 0.024 4.343 4.320 -0.000 0.000 0.200 182 K C 0.345 176.895 176.600 -0.084 0.000 1.058 182 K CA 0.351 56.590 56.287 -0.079 0.000 0.974 182 K CB 0.614 33.069 32.500 -0.075 0.000 0.910 182 K HN 0.092 nan 8.250 nan 0.000 0.484 183 N N 0.476 119.112 118.700 -0.105 0.000 2.793 183 N HA 0.136 4.876 4.740 -0.000 0.000 0.251 183 N C -2.636 172.815 175.510 -0.097 0.000 1.308 183 N CA -1.463 51.526 53.050 -0.102 0.000 0.781 183 N CB 1.874 40.278 38.487 -0.139 0.000 1.439 183 N HN -0.101 nan 8.380 nan 0.000 0.562 184 P HA -0.000 nan 4.420 nan 0.000 0.242 184 P C 0.053 177.377 177.300 0.040 0.000 1.198 184 P CA 0.651 63.750 63.100 -0.002 0.000 0.756 184 P CB 0.369 32.117 31.700 0.078 0.000 0.911 185 K N -0.728 119.666 120.400 -0.010 0.000 2.517 185 K HA 0.125 4.445 4.320 -0.000 0.000 0.210 185 K C 1.584 178.146 176.600 -0.063 0.000 1.166 185 K CA -0.179 56.108 56.287 0.000 0.000 1.030 185 K CB 0.386 32.889 32.500 0.005 0.000 0.974 185 K HN 0.081 nan 8.250 nan 0.000 0.585 186 K N 0.540 120.832 120.400 -0.180 0.000 2.000 186 K HA -0.180 4.139 4.320 -0.000 0.000 0.218 186 K C 1.310 177.693 176.600 -0.361 0.000 1.053 186 K CA 2.139 58.195 56.287 -0.385 0.000 0.946 186 K CB -0.132 31.947 32.500 -0.703 0.000 0.723 186 K HN 0.130 nan 8.250 nan 0.000 0.446 187 W N 0.525 121.825 121.300 -0.001 0.000 2.402 187 W HA -0.076 4.584 4.660 -0.000 0.000 0.286 187 W C 2.376 178.905 176.519 0.017 0.000 1.221 187 W CA 0.889 58.240 57.345 0.011 0.000 1.257 187 W CB -0.502 28.965 29.460 0.012 0.000 1.120 187 W HN 0.145 nan 8.180 nan 0.000 0.551 188 T N 0.274 114.945 114.554 0.195 0.000 2.746 188 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 188 T C 1.242 175.991 174.700 0.083 0.000 1.039 188 T CA 1.806 63.980 62.100 0.123 0.000 1.142 188 T CB -0.486 68.435 68.868 0.089 0.000 0.866 188 T HN 0.291 nan 8.240 nan 0.000 0.444 189 N N 0.290 119.016 118.700 0.043 0.000 2.300 189 N HA 0.141 4.881 4.740 -0.000 0.000 0.179 189 N C 1.790 177.316 175.510 0.027 0.000 1.016 189 N CA 0.557 53.618 53.050 0.019 0.000 0.876 189 N CB -0.054 38.422 38.487 -0.018 0.000 0.979 189 N HN 0.287 nan 8.380 nan 0.000 0.432 190 I N 1.108 121.703 120.570 0.042 0.000 2.233 190 I HA -0.179 3.991 4.170 -0.000 0.000 0.243 190 I C 2.409 178.587 176.117 0.102 0.000 1.093 190 I CA 0.550 61.889 61.300 0.065 0.000 1.380 190 I CB -0.256 37.808 38.000 0.107 0.000 1.067 190 I HN 0.137 nan 8.210 nan 0.000 0.413 191 A N 0.661 123.582 122.820 0.168 0.000 2.024 191 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 191 A C 2.219 179.905 177.584 0.169 0.000 1.164 191 A CA 1.520 53.683 52.037 0.211 0.000 0.643 191 A CB -0.449 18.670 19.000 0.199 0.000 0.806 191 A HN 0.348 nan 8.150 nan 0.000 0.451 192 K N -0.651 119.810 120.400 0.103 0.000 2.288 192 K HA -0.043 4.277 4.320 -0.000 0.000 0.201 192 K C 0.998 177.627 176.600 0.048 0.000 1.048 192 K CA 0.866 57.198 56.287 0.076 0.000 0.956 192 K CB 0.040 32.570 32.500 0.050 0.000 0.746 192 K HN 0.240 nan 8.250 nan 0.000 0.461 193 K N 0.492 120.905 120.400 0.021 0.000 2.353 193 K HA 0.189 4.509 4.320 -0.000 0.000 0.195 193 K C 0.591 177.163 176.600 -0.047 0.000 1.031 193 K CA 0.088 56.367 56.287 -0.014 0.000 1.079 193 K CB 0.450 32.932 32.500 -0.031 0.000 0.857 193 K HN 0.116 nan 8.250 nan 0.000 0.535 194 I N 2.789 123.311 120.570 -0.081 0.000 2.436 194 I HA -0.054 4.115 4.170 -0.000 0.000 0.289 194 I C 1.536 177.568 176.117 -0.142 0.000 1.083 194 I CA -0.226 60.937 61.300 -0.229 0.000 1.372 194 I CB 0.486 38.107 38.000 -0.631 0.000 1.408 194 I HN -0.128 nan 8.210 nan 0.000 0.516 195 I N 4.950 125.468 120.570 -0.087 0.000 2.179 195 I HA -0.011 4.159 4.170 -0.000 0.000 0.242 195 I C 1.207 177.336 176.117 0.019 0.000 1.088 195 I CA 1.039 62.337 61.300 -0.003 0.000 1.357 195 I CB -1.300 36.725 38.000 0.041 0.000 1.051 195 I HN 0.757 nan 8.210 nan 0.000 0.409 196 G N -0.655 108.106 108.800 -0.065 0.000 2.328 196 G HA2 0.424 4.384 3.960 -0.000 0.000 0.295 196 G HA3 0.424 4.384 3.960 -0.000 0.000 0.295 196 G C -1.882 172.993 174.900 -0.042 0.000 1.413 196 G CA -0.131 44.981 45.100 0.020 0.000 0.817 196 G HN -0.027 nan 8.290 nan 0.000 0.546 197 V N -0.352 119.625 119.914 0.105 0.000 3.040 197 V HA 0.913 5.032 4.120 -0.000 0.000 0.312 197 V C -0.531 175.614 176.094 0.084 0.000 1.115 197 V CA -0.006 62.347 62.300 0.088 0.000 0.998 197 V CB 2.347 34.298 31.823 0.214 0.000 1.042 197 V HN 1.847 nan 8.190 nan 0.000 0.433 198 S N 3.259 118.995 115.700 0.059 0.000 2.659 198 S HA 0.620 5.090 4.470 -0.000 0.000 0.312 198 S C -0.894 173.742 174.600 0.061 0.000 1.114 198 S CA -0.678 57.556 58.200 0.057 0.000 1.063 198 S CB 1.552 64.785 63.200 0.054 0.000 0.996 198 S HN 0.711 nan 8.310 nan 0.000 0.478 199 E N 1.605 121.842 120.200 0.060 0.000 2.259 199 E HA 0.243 4.593 4.350 -0.000 0.000 0.281 199 E C 0.642 177.277 176.600 0.058 0.000 1.027 199 E CA -0.287 56.145 56.400 0.053 0.000 0.838 199 E CB 1.726 31.451 29.700 0.041 0.000 1.066 199 E HN 0.924 nan 8.360 nan 0.000 0.401 200 E N 1.988 122.227 120.200 0.065 0.000 2.166 200 E HA 0.003 4.352 4.350 -0.000 0.000 0.192 200 E C 0.266 176.900 176.600 0.056 0.000 0.967 200 E CA 0.561 57.012 56.400 0.086 0.000 0.840 200 E CB 0.380 30.159 29.700 0.131 0.000 0.795 200 E HN 0.323 nan 8.360 nan 0.000 0.470 201 T N -1.363 113.210 114.554 0.032 0.000 2.950 201 T HA 0.238 4.588 4.350 -0.000 0.000 0.288 201 T C 0.744 175.434 174.700 -0.016 0.000 1.035 201 T CA -0.092 62.011 62.100 0.007 0.000 1.028 201 T CB 1.527 70.391 68.868 -0.006 0.000 1.109 201 T HN 0.054 nan 8.240 nan 0.000 0.514 202 T N 1.783 116.317 114.554 -0.033 0.000 2.759 202 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 202 T C 2.000 176.660 174.700 -0.067 0.000 1.042 202 T CA 1.929 64.000 62.100 -0.049 0.000 1.140 202 T CB -0.403 68.430 68.868 -0.059 0.000 0.864 202 T HN 0.652 nan 8.240 nan 0.000 0.455 203 T N 1.039 115.540 114.554 -0.089 0.000 2.777 203 T HA 0.001 4.351 4.350 -0.000 0.000 0.266 203 T C 2.298 176.978 174.700 -0.035 0.000 1.040 203 T CA 1.285 63.319 62.100 -0.109 0.000 1.141 203 T CB -0.761 68.004 68.868 -0.171 0.000 0.868 203 T HN 0.534 nan 8.240 nan 0.000 0.444 204 G N 0.822 109.612 108.800 -0.016 0.000 2.422 204 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.218 204 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.218 204 G C 1.682 176.582 174.900 -0.000 0.000 1.146 204 G CA 0.788 45.898 45.100 0.018 0.000 0.769 204 G HN 0.435 nan 8.290 nan 0.000 0.547 205 V N 1.128 121.035 119.914 -0.012 0.000 2.343 205 V HA -0.092 4.027 4.120 -0.000 0.000 0.247 205 V C 2.657 178.732 176.094 -0.032 0.000 1.051 205 V CA 1.210 63.498 62.300 -0.018 0.000 1.036 205 V CB -0.411 31.401 31.823 -0.019 0.000 0.654 205 V HN 0.323 nan 8.190 nan 0.000 0.451 206 L N 0.264 121.463 121.223 -0.039 0.000 2.079 206 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 206 L C 2.664 179.509 176.870 -0.042 0.000 1.081 206 L CA 2.046 56.858 54.840 -0.046 0.000 0.752 206 L CB -0.729 41.293 42.059 -0.062 0.000 0.896 206 L HN 0.314 nan 8.230 nan 0.000 0.433 207 R N -0.698 119.784 120.500 -0.030 0.000 2.075 207 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 207 R C 2.345 178.598 176.300 -0.078 0.000 1.126 207 R CA 1.200 57.277 56.100 -0.039 0.000 0.963 207 R CB -0.199 30.094 30.300 -0.010 0.000 0.858 207 R HN 0.374 nan 8.270 nan 0.000 0.435 208 L N 0.609 121.788 121.223 -0.073 0.000 2.056 208 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 208 L C 2.294 179.111 176.870 -0.089 0.000 1.078 208 L CA 1.454 56.236 54.840 -0.097 0.000 0.749 208 L CB -0.349 41.676 42.059 -0.057 0.000 0.901 208 L HN 0.139 nan 8.230 nan 0.000 0.433 209 K N 0.217 120.578 120.400 -0.065 0.000 2.057 209 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 209 K C 2.137 178.699 176.600 -0.063 0.000 1.049 209 K CA 1.321 57.571 56.287 -0.061 0.000 0.931 209 K CB -0.062 32.408 32.500 -0.049 0.000 0.714 209 K HN 0.259 nan 8.250 nan 0.000 0.440 210 K N 0.296 120.658 120.400 -0.064 0.000 2.097 210 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 210 K C 2.133 178.689 176.600 -0.073 0.000 1.050 210 K CA 1.230 57.481 56.287 -0.060 0.000 0.938 210 K CB -0.021 32.447 32.500 -0.053 0.000 0.718 210 K HN 0.161 nan 8.250 nan 0.000 0.442 211 M N 0.482 120.021 119.600 -0.102 0.000 2.156 211 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 211 M C 1.803 178.047 176.300 -0.094 0.000 1.067 211 M CA 1.361 56.588 55.300 -0.122 0.000 1.131 211 M CB -0.237 32.228 32.600 -0.225 0.000 1.368 211 M HN 0.045 nan 8.290 nan 0.000 0.416 212 D N 0.649 120.994 120.400 -0.092 0.000 2.219 212 D HA -0.158 4.482 4.640 -0.000 0.000 0.205 212 D C 1.876 178.142 176.300 -0.057 0.000 0.970 212 D CA 1.189 55.146 54.000 -0.072 0.000 0.851 212 D CB 0.046 40.800 40.800 -0.076 0.000 0.943 212 D HN 0.176 nan 8.370 nan 0.000 0.488 213 K N -0.354 120.013 120.400 -0.055 0.000 2.097 213 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 213 K C 1.467 178.044 176.600 -0.038 0.000 1.050 213 K CA 0.889 57.150 56.287 -0.044 0.000 0.938 213 K CB 0.111 32.586 32.500 -0.042 0.000 0.718 213 K HN 0.196 nan 8.250 nan 0.000 0.442 214 Q N 0.486 120.262 119.800 -0.041 0.000 2.222 214 Q HA 0.108 4.448 4.340 -0.000 0.000 0.206 214 Q C -0.743 175.240 176.000 -0.029 0.000 0.877 214 Q CA -0.257 55.526 55.803 -0.033 0.000 0.958 214 Q CB 0.539 29.256 28.738 -0.035 0.000 1.075 214 Q HN 0.281 nan 8.270 nan 0.000 0.483 215 N N 1.600 120.282 118.700 -0.031 0.000 2.714 215 N HA -0.203 4.537 4.740 -0.000 0.000 0.253 215 N C -0.288 175.212 175.510 -0.016 0.000 1.024 215 N CA 0.957 53.994 53.050 -0.022 0.000 0.726 215 N CB -0.729 37.749 38.487 -0.014 0.000 0.908 215 N HN 0.562 nan 8.380 nan 0.000 0.542 216 E N -0.311 119.875 120.200 -0.023 0.000 2.473 216 E HA 0.183 4.533 4.350 -0.000 0.000 0.204 216 E C 0.517 177.146 176.600 0.048 0.000 0.994 216 E CA -0.204 56.199 56.400 0.005 0.000 0.945 216 E CB 0.513 30.207 29.700 -0.011 0.000 0.990 216 E HN 0.355 nan 8.360 nan 0.000 0.493 217 L N 2.109 123.327 121.223 -0.009 0.000 2.513 217 L HA -0.011 4.329 4.340 -0.000 0.000 0.272 217 L C 1.049 177.904 176.870 -0.026 0.000 1.187 217 L CA 0.163 55.005 54.840 0.005 0.000 0.895 217 L CB 0.552 42.571 42.059 -0.066 0.000 1.147 217 L HN 0.185 nan 8.230 nan 0.000 0.483 218 L N 4.858 125.975 121.223 -0.176 0.000 2.529 218 L HA 0.143 4.483 4.340 -0.000 0.000 0.223 218 L C -0.122 176.707 176.870 -0.069 0.000 1.113 218 L CA 0.153 54.851 54.840 -0.236 0.000 0.861 218 L CB -0.107 41.721 42.059 -0.384 0.000 1.012 218 L HN 0.505 nan 8.230 nan 0.000 0.461 219 F N -4.403 115.618 119.950 0.118 0.000 2.779 219 F HA 0.465 4.992 4.527 -0.000 0.000 0.316 219 F C -0.087 175.786 175.800 0.122 0.000 1.164 219 F CA -1.499 56.562 58.000 0.102 0.000 0.924 219 F CB 0.032 39.078 39.000 0.076 0.000 1.348 219 F HN -0.442 nan 8.300 nan 0.000 0.467 220 T N 1.533 116.327 114.554 0.399 0.000 2.928 220 T HA 0.513 4.863 4.350 -0.000 0.000 0.305 220 T C -0.131 174.737 174.700 0.280 0.000 1.035 220 T CA 0.657 62.928 62.100 0.285 0.000 1.145 220 T CB 0.416 69.367 68.868 0.138 0.000 0.963 220 T HN 0.933 nan 8.240 nan 0.000 0.545 221 A N 3.671 126.616 122.820 0.207 0.000 2.359 221 A HA 0.700 5.020 4.320 -0.000 0.000 0.303 221 A C -0.453 177.193 177.584 0.102 0.000 1.066 221 A CA -0.763 51.366 52.037 0.153 0.000 0.730 221 A CB 0.839 19.908 19.000 0.115 0.000 1.211 221 A HN 0.838 nan 8.150 nan 0.000 0.439 222 I N 2.502 123.104 120.570 0.053 0.000 2.336 222 I HA 0.194 4.364 4.170 -0.000 0.000 0.292 222 I C 0.029 176.176 176.117 0.050 0.000 0.991 222 I CA -0.729 60.593 61.300 0.037 0.000 1.227 222 I CB 1.591 39.579 38.000 -0.019 0.000 1.366 222 I HN 0.658 nan 8.210 nan 0.000 0.466 223 N N 6.385 125.117 118.700 0.053 0.000 2.605 223 N HA 0.083 4.823 4.740 -0.000 0.000 0.258 223 N C 0.611 176.146 175.510 0.040 0.000 1.156 223 N CA 0.067 53.140 53.050 0.038 0.000 1.008 223 N CB 0.988 39.490 38.487 0.025 0.000 1.354 223 N HN 0.419 nan 8.380 nan 0.000 0.509 224 V N 2.743 122.685 119.914 0.047 0.000 2.591 224 V HA -0.130 3.990 4.120 -0.000 0.000 0.249 224 V C 2.336 178.450 176.094 0.034 0.000 1.053 224 V CA 1.046 63.379 62.300 0.055 0.000 1.068 224 V CB -0.608 31.264 31.823 0.082 0.000 0.689 224 V HN 0.709 nan 8.190 nan 0.000 0.462 225 N N 0.643 119.358 118.700 0.025 0.000 2.223 225 N HA -0.196 4.544 4.740 -0.000 0.000 0.185 225 N C 1.111 176.609 175.510 -0.020 0.000 1.016 225 N CA 1.588 54.640 53.050 0.004 0.000 0.863 225 N CB -0.017 38.471 38.487 0.001 0.000 0.983 225 N HN 0.426 nan 8.380 nan 0.000 0.429 226 D N 0.453 120.845 120.400 -0.013 0.000 2.349 226 D HA 0.130 4.769 4.640 -0.000 0.000 0.224 226 D C 0.108 176.389 176.300 -0.031 0.000 1.029 226 D CA 0.034 54.020 54.000 -0.023 0.000 0.879 226 D CB 0.040 40.835 40.800 -0.008 0.000 0.906 226 D HN 0.293 nan 8.370 nan 0.000 0.528 227 A N 0.203 123.003 122.820 -0.034 0.000 2.440 227 A HA 0.183 4.503 4.320 -0.000 0.000 0.251 227 A C 1.712 179.214 177.584 -0.138 0.000 1.089 227 A CA -0.403 51.601 52.037 -0.054 0.000 0.779 227 A CB 0.636 19.620 19.000 -0.026 0.000 1.022 227 A HN 0.010 nan 8.150 nan 0.000 0.492 228 V N 2.570 122.372 119.914 -0.186 0.000 2.231 228 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 228 V C 2.666 178.415 176.094 -0.575 0.000 1.054 228 V CA 2.792 64.879 62.300 -0.354 0.000 1.015 228 V CB -1.461 30.068 31.823 -0.490 0.000 0.638 228 V HN 1.086 nan 8.190 nan 0.000 0.444 229 T N -2.633 111.579 114.554 -0.570 0.000 3.320 229 T HA -0.088 4.262 4.350 -0.000 0.000 0.258 229 T C 1.379 175.780 174.700 -0.499 0.000 1.176 229 T CA 1.056 62.661 62.100 -0.825 0.000 1.037 229 T CB 0.001 68.700 68.868 -0.281 0.000 0.958 229 T HN 0.390 nan 8.240 nan 0.000 0.545 230 K N 1.206 121.405 120.400 -0.334 0.000 2.431 230 K HA 0.073 4.393 4.320 -0.000 0.000 0.213 230 K C 2.382 178.892 176.600 -0.151 0.000 1.258 230 K CA 0.920 57.122 56.287 -0.141 0.000 0.845 230 K CB -0.301 32.170 32.500 -0.049 0.000 1.498 230 K HN 0.526 nan 8.250 nan 0.000 0.451 231 Q N 0.609 120.314 119.800 -0.160 0.000 2.170 231 Q HA -0.065 4.274 4.340 -0.000 0.000 0.203 231 Q C 1.357 177.241 176.000 -0.193 0.000 0.976 231 Q CA 1.153 56.872 55.803 -0.139 0.000 0.858 231 Q CB 0.011 28.681 28.738 -0.114 0.000 0.907 231 Q HN -0.053 nan 8.270 nan 0.000 0.433 232 K N -0.268 119.963 120.400 -0.282 0.000 2.305 232 K HA 0.032 4.352 4.320 -0.000 0.000 0.199 232 K C 1.420 177.912 176.600 -0.179 0.000 1.047 232 K CA 0.895 57.017 56.287 -0.275 0.000 0.976 232 K CB 0.136 32.446 32.500 -0.317 0.000 0.765 232 K HN 0.516 nan 8.250 nan 0.000 0.474 233 Y N -0.273 119.840 120.300 -0.311 0.000 2.439 233 Y HA -0.032 4.518 4.550 -0.000 0.000 0.281 233 Y C 2.324 178.107 175.900 -0.196 0.000 1.145 233 Y CA -0.292 57.657 58.100 -0.252 0.000 1.252 233 Y CB 0.057 38.285 38.460 -0.387 0.000 1.271 233 Y HN -0.003 nan 8.280 nan 0.000 0.516 234 D N 1.145 121.572 120.400 0.045 0.000 2.088 234 D HA -0.205 4.435 4.640 -0.000 0.000 0.191 234 D C 1.165 177.435 176.300 -0.051 0.000 0.992 234 D CA 1.669 55.688 54.000 0.032 0.000 0.831 234 D CB -0.439 40.417 40.800 0.094 0.000 0.973 234 D HN 0.380 nan 8.370 nan 0.000 0.447 235 N N -0.433 118.240 118.700 -0.045 0.000 2.289 235 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 235 N C 1.887 177.307 175.510 -0.149 0.000 1.016 235 N CA 0.700 53.717 53.050 -0.054 0.000 0.872 235 N CB 0.471 38.916 38.487 -0.070 0.000 0.973 235 N HN 0.137 nan 8.380 nan 0.000 0.433 236 V N 0.006 119.757 119.914 -0.272 0.000 2.502 236 V HA -0.094 4.026 4.120 -0.000 0.000 0.234 236 V C 1.504 177.416 176.094 -0.304 0.000 1.072 236 V CA 0.970 63.046 62.300 -0.372 0.000 1.094 236 V CB -0.828 30.610 31.823 -0.641 0.000 0.761 236 V HN 0.190 nan 8.190 nan 0.000 0.489 237 Y N 1.459 121.702 120.300 -0.095 0.000 2.293 237 Y HA -0.014 4.536 4.550 -0.000 0.000 0.291 237 Y C 2.556 178.350 175.900 -0.176 0.000 1.137 237 Y CA 0.825 58.862 58.100 -0.105 0.000 1.202 237 Y CB -0.732 37.666 38.460 -0.104 0.000 0.990 237 Y HN 0.328 nan 8.280 nan 0.000 0.537 238 G N -0.520 108.126 108.800 -0.257 0.000 2.421 238 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 238 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 238 G C 1.542 176.082 174.900 -0.600 0.000 1.171 238 G CA 1.308 45.911 45.100 -0.828 0.000 0.775 238 G HN 0.452 nan 8.290 nan 0.000 0.543 239 C N -0.069 119.038 119.300 -0.321 0.000 2.450 239 C HA 0.136 4.595 4.460 -0.000 0.000 0.279 239 C C 2.767 177.759 174.990 0.004 0.000 1.335 239 C CA 0.565 59.573 59.018 -0.016 0.000 1.749 239 C CB -0.795 26.956 27.740 0.018 0.000 1.963 239 C HN 0.556 nan 8.230 nan 0.000 0.501 240 R N 0.293 120.790 120.500 -0.004 0.000 2.127 240 R HA -0.201 4.139 4.340 -0.000 0.000 0.238 240 R C 2.051 178.383 176.300 0.053 0.000 1.134 240 R CA 2.076 58.197 56.100 0.034 0.000 0.975 240 R CB -0.440 29.909 30.300 0.082 0.000 0.865 240 R HN 0.757 nan 8.270 nan 0.000 0.447 241 H N -0.374 118.684 119.070 -0.019 0.000 2.329 241 H HA 0.042 4.598 4.556 -0.000 0.000 0.306 241 H C 2.053 177.395 175.328 0.022 0.000 1.062 241 H CA 1.999 58.047 56.048 0.001 0.000 1.364 241 H CB 0.040 29.805 29.762 0.004 0.000 1.409 241 H HN 0.287 nan 8.280 nan 0.000 0.519 242 S N 0.335 116.166 115.700 0.219 0.000 2.522 242 S HA -0.073 4.397 4.470 -0.000 0.000 0.227 242 S C 2.011 176.649 174.600 0.062 0.000 0.986 242 S CA 0.742 59.050 58.200 0.180 0.000 0.929 242 S CB -0.279 63.113 63.200 0.320 0.000 0.769 242 S HN 0.391 nan 8.310 nan 0.000 0.529 243 L N 3.418 124.659 121.223 0.029 0.000 1.993 243 L HA 0.141 4.481 4.340 -0.000 0.000 0.206 243 L C -0.870 175.969 176.870 -0.052 0.000 1.074 243 L CA 1.652 56.489 54.840 -0.006 0.000 0.746 243 L CB -1.313 40.736 42.059 -0.017 0.000 0.896 243 L HN 0.095 nan 8.230 nan 0.000 0.435 244 P HA -0.191 nan 4.420 nan 0.000 0.218 244 P C 0.897 178.137 177.300 -0.100 0.000 1.149 244 P CA 1.738 64.769 63.100 -0.115 0.000 0.817 244 P CB -0.061 31.564 31.700 -0.125 0.000 0.785 245 D N 0.382 120.714 120.400 -0.113 0.000 2.117 245 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 245 D C 2.358 178.636 176.300 -0.036 0.000 0.987 245 D CA 1.846 55.791 54.000 -0.091 0.000 0.829 245 D CB -1.013 39.718 40.800 -0.115 0.000 0.961 245 D HN 0.085 nan 8.370 nan 0.000 0.460 246 G N 0.024 108.813 108.800 -0.019 0.000 2.402 246 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 246 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 246 G C 1.532 176.422 174.900 -0.017 0.000 1.162 246 G CA 0.544 45.639 45.100 -0.007 0.000 0.777 246 G HN 0.267 nan 8.290 nan 0.000 0.539 247 L N 0.332 121.540 121.223 -0.024 0.000 2.056 247 L HA 0.118 4.458 4.340 -0.000 0.000 0.207 247 L C 3.035 179.894 176.870 -0.020 0.000 1.078 247 L CA 1.332 56.166 54.840 -0.012 0.000 0.749 247 L CB -0.679 41.348 42.059 -0.054 0.000 0.901 247 L HN 0.229 nan 8.230 nan 0.000 0.433 248 M N -1.461 118.121 119.600 -0.030 0.000 2.086 248 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 248 M C 2.356 178.643 176.300 -0.021 0.000 1.067 248 M CA 1.575 56.866 55.300 -0.016 0.000 1.116 248 M CB -0.367 32.220 32.600 -0.021 0.000 1.348 248 M HN 0.138 nan 8.290 nan 0.000 0.407 249 R N 0.074 120.561 120.500 -0.022 0.000 2.092 249 R HA -0.029 4.311 4.340 -0.000 0.000 0.231 249 R C 2.319 178.595 176.300 -0.040 0.000 1.119 249 R CA 1.371 57.460 56.100 -0.018 0.000 0.970 249 R CB -0.466 29.831 30.300 -0.004 0.000 0.864 249 R HN 0.362 nan 8.270 nan 0.000 0.440 250 A N 0.524 123.310 122.820 -0.057 0.000 1.929 250 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 250 A C 2.119 179.605 177.584 -0.164 0.000 1.176 250 A CA 1.881 53.865 52.037 -0.089 0.000 0.628 250 A CB -0.264 18.691 19.000 -0.075 0.000 0.816 250 A HN 0.468 nan 8.150 nan 0.000 0.444 251 T N -6.716 107.699 114.554 -0.231 0.000 2.954 251 T HA 0.173 4.523 4.350 -0.000 0.000 0.252 251 T C 0.366 174.866 174.700 -0.334 0.000 0.983 251 T CA 0.852 62.642 62.100 -0.516 0.000 0.941 251 T CB 0.239 68.459 68.868 -1.080 0.000 1.141 251 T HN 0.300 nan 8.240 nan 0.000 0.500 252 D N 0.906 121.253 120.400 -0.088 0.000 3.059 252 D HA -0.114 4.526 4.640 -0.000 0.000 0.220 252 D C -0.783 175.679 176.300 0.270 0.000 1.169 252 D CA 0.567 54.611 54.000 0.074 0.000 0.902 252 D CB -1.399 39.451 40.800 0.082 0.000 1.116 252 D HN 0.360 nan 8.370 nan 0.000 0.417 253 F N 0.297 120.317 119.950 0.118 0.000 2.410 253 F HA 0.335 4.862 4.527 -0.000 0.000 0.334 253 F C 1.123 177.019 175.800 0.160 0.000 1.134 253 F CA -1.119 56.975 58.000 0.157 0.000 1.227 253 F CB 0.164 39.314 39.000 0.250 0.000 1.194 253 F HN -0.138 nan 8.300 nan 0.000 0.571 254 L N 2.859 124.273 121.223 0.319 0.000 2.416 254 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 254 L C 0.448 177.451 176.870 0.221 0.000 1.161 254 L CA 0.573 55.524 54.840 0.185 0.000 0.845 254 L CB 0.165 42.287 42.059 0.104 0.000 1.119 254 L HN 0.613 nan 8.230 nan 0.000 0.464 255 I N 1.025 121.640 120.570 0.075 0.000 3.172 255 I HA 0.065 4.235 4.170 -0.000 0.000 0.278 255 I C 0.826 176.942 176.117 -0.002 0.000 1.174 255 I CA 0.040 61.310 61.300 -0.050 0.000 1.445 255 I CB 0.078 37.954 38.000 -0.206 0.000 1.175 255 I HN 0.585 nan 8.210 nan 0.000 0.447 256 S N 1.280 116.987 115.700 0.011 0.000 2.552 256 S HA 0.211 4.681 4.470 -0.000 0.000 0.289 256 S C 1.204 175.827 174.600 0.039 0.000 1.304 256 S CA 0.754 58.964 58.200 0.018 0.000 1.063 256 S CB 0.609 63.819 63.200 0.017 0.000 0.848 256 S HN 0.695 nan 8.310 nan 0.000 0.499 257 G N 2.190 111.013 108.800 0.038 0.000 2.212 257 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.266 257 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.266 257 G C 0.033 174.972 174.900 0.065 0.000 0.978 257 G CA 0.164 45.291 45.100 0.046 0.000 0.632 257 G HN 0.537 nan 8.290 nan 0.000 0.537 258 K N 0.258 120.712 120.400 0.091 0.000 2.118 258 K HA 0.568 4.888 4.320 -0.000 0.000 0.264 258 K C 0.654 177.328 176.600 0.124 0.000 1.000 258 K CA -0.772 55.599 56.287 0.140 0.000 0.929 258 K CB 1.185 33.875 32.500 0.317 0.000 1.021 258 K HN 0.275 nan 8.250 nan 0.000 0.463 259 I N 2.422 123.051 120.570 0.099 0.000 2.322 259 I HA 0.057 4.227 4.170 -0.000 0.000 0.292 259 I C -0.250 175.882 176.117 0.025 0.000 1.060 259 I CA -0.598 60.732 61.300 0.050 0.000 1.309 259 I CB 0.764 38.712 38.000 -0.087 0.000 1.415 259 I HN -0.024 nan 8.210 nan 0.000 0.492 260 V N 7.809 127.746 119.914 0.038 0.000 2.417 260 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 260 V C 0.028 176.073 176.094 -0.081 0.000 1.024 260 V CA -0.665 61.620 62.300 -0.026 0.000 0.861 260 V CB 1.975 33.751 31.823 -0.078 0.000 0.985 260 V HN 0.354 nan 8.190 nan 0.000 0.436 261 V N 6.167 125.955 119.914 -0.210 0.000 2.347 261 V HA 0.478 4.598 4.120 -0.000 0.000 0.280 261 V C -0.230 175.838 176.094 -0.043 0.000 1.021 261 V CA -0.479 61.736 62.300 -0.143 0.000 0.847 261 V CB 1.529 33.182 31.823 -0.284 0.000 0.990 261 V HN 0.573 nan 8.190 nan 0.000 0.444 262 I N 3.950 124.511 120.570 -0.015 0.000 2.362 262 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 262 I C -0.048 176.100 176.117 0.052 0.000 0.994 262 I CA -0.249 61.059 61.300 0.012 0.000 1.158 262 I CB 1.461 39.450 38.000 -0.018 0.000 1.315 262 I HN 0.549 nan 8.210 nan 0.000 0.451 263 C N 4.792 124.135 119.300 0.071 0.000 2.265 263 C HA 0.791 5.251 4.460 -0.000 0.000 0.332 263 C C 0.777 175.812 174.990 0.076 0.000 1.248 263 C CA -0.406 58.657 59.018 0.073 0.000 1.727 263 C CB -0.139 27.645 27.740 0.073 0.000 2.348 263 C HN 1.077 nan 8.230 nan 0.000 0.519 264 G N 2.442 111.297 108.800 0.092 0.000 3.225 264 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.686 264 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.686 264 G C -1.178 173.821 174.900 0.166 0.000 1.105 264 G CA -0.666 44.493 45.100 0.099 0.000 0.831 264 G HN 0.826 nan 8.290 nan 0.000 0.578 265 Y N 2.876 123.181 120.300 0.009 0.000 2.578 265 Y HA 0.537 5.086 4.550 -0.000 0.000 0.317 265 Y C 1.132 177.037 175.900 0.008 0.000 0.940 265 Y CA 0.252 58.361 58.100 0.015 0.000 1.174 265 Y CB 0.114 38.597 38.460 0.038 0.000 1.198 265 Y HN 0.919 nan 8.280 nan 0.000 0.597 266 G N 0.001 108.741 108.800 -0.100 0.000 2.630 266 G HA2 0.037 3.997 3.960 -0.000 0.000 0.223 266 G HA3 0.037 3.997 3.960 -0.000 0.000 0.223 266 G C 0.576 175.340 174.900 -0.227 0.000 1.434 266 G CA -0.004 45.016 45.100 -0.133 0.000 1.057 266 G HN 0.235 nan 8.290 nan 0.000 0.570 267 D N -0.843 119.456 120.400 -0.169 0.000 2.106 267 D HA -0.154 4.486 4.640 -0.000 0.000 0.191 267 D C 2.737 178.928 176.300 -0.181 0.000 0.997 267 D CA 1.348 55.237 54.000 -0.184 0.000 0.834 267 D CB -0.391 40.324 40.800 -0.142 0.000 0.956 267 D HN 0.043 nan 8.370 nan 0.000 0.448 268 V N 1.131 120.972 119.914 -0.122 0.000 2.358 268 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 268 V C 2.609 178.646 176.094 -0.095 0.000 1.047 268 V CA 2.006 64.257 62.300 -0.083 0.000 1.035 268 V CB -1.021 30.782 31.823 -0.033 0.000 0.658 268 V HN 0.239 nan 8.190 nan 0.000 0.452 269 G N -0.279 108.455 108.800 -0.110 0.000 2.442 269 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 269 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 269 G C 1.670 176.463 174.900 -0.178 0.000 1.141 269 G CA 0.859 45.911 45.100 -0.080 0.000 0.763 269 G HN 0.476 nan 8.290 nan 0.000 0.554 270 K N 0.085 120.212 120.400 -0.454 0.000 2.097 270 K HA -0.021 4.298 4.320 -0.000 0.000 0.206 270 K C 2.751 179.272 176.600 -0.132 0.000 1.049 270 K CA 0.905 56.907 56.287 -0.475 0.000 0.933 270 K CB -0.308 31.873 32.500 -0.532 0.000 0.717 270 K HN 0.280 nan 8.250 nan 0.000 0.442 271 G N 0.866 109.584 108.800 -0.137 0.000 2.404 271 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.215 271 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.215 271 G C 1.634 176.520 174.900 -0.024 0.000 1.174 271 G CA 0.798 45.852 45.100 -0.077 0.000 0.780 271 G HN 0.298 nan 8.290 nan 0.000 0.537 272 C N 1.038 120.318 119.300 -0.033 0.000 2.413 272 C HA 0.123 4.583 4.460 -0.000 0.000 0.276 272 C C 3.555 178.525 174.990 -0.033 0.000 1.236 272 C CA 0.986 59.988 59.018 -0.028 0.000 1.735 272 C CB -0.964 26.759 27.740 -0.028 0.000 2.031 272 C HN 0.554 nan 8.230 nan 0.000 0.474 273 A N 1.232 124.042 122.820 -0.016 0.000 1.972 273 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 273 A C 2.291 179.923 177.584 0.080 0.000 1.169 273 A CA 2.295 54.283 52.037 -0.080 0.000 0.635 273 A CB -0.811 18.131 19.000 -0.097 0.000 0.810 273 A HN 0.731 nan 8.150 nan 0.000 0.446 274 S N 0.631 116.424 115.700 0.155 0.000 2.368 274 S HA -0.195 4.275 4.470 -0.000 0.000 0.225 274 S C 2.163 176.823 174.600 0.099 0.000 1.030 274 S CA 1.871 60.176 58.200 0.176 0.000 0.999 274 S CB -0.949 62.334 63.200 0.138 0.000 0.844 274 S HN 0.938 nan 8.310 nan 0.000 0.459 275 S N 2.043 117.769 115.700 0.045 0.000 2.387 275 S HA 0.033 4.503 4.470 -0.000 0.000 0.226 275 S C 2.058 176.649 174.600 -0.016 0.000 1.026 275 S CA 1.066 59.272 58.200 0.010 0.000 0.972 275 S CB -0.614 62.577 63.200 -0.015 0.000 0.814 275 S HN 0.366 nan 8.310 nan 0.000 0.477 276 M N 1.880 121.455 119.600 -0.042 0.000 2.159 276 M HA 0.044 4.524 4.480 -0.000 0.000 0.263 276 M C 2.324 178.612 176.300 -0.021 0.000 1.063 276 M CA 1.512 56.764 55.300 -0.078 0.000 1.110 276 M CB -1.186 31.332 32.600 -0.137 0.000 1.374 276 M HN 0.496 nan 8.290 nan 0.000 0.411 277 K N 0.244 120.674 120.400 0.051 0.000 2.057 277 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 277 K C 2.030 178.677 176.600 0.079 0.000 1.049 277 K CA 1.595 57.964 56.287 0.136 0.000 0.931 277 K CB -0.361 32.329 32.500 0.316 0.000 0.714 277 K HN 0.361 nan 8.250 nan 0.000 0.440 278 G N 1.240 110.075 108.800 0.060 0.000 2.450 278 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.220 278 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.220 278 G C 1.402 176.310 174.900 0.013 0.000 1.130 278 G CA 0.610 45.730 45.100 0.033 0.000 0.760 278 G HN 0.247 nan 8.290 nan 0.000 0.557 279 L N -0.132 121.091 121.223 -0.001 0.000 2.492 279 L HA 0.237 4.577 4.340 -0.000 0.000 0.223 279 L C 2.000 178.868 176.870 -0.004 0.000 1.132 279 L CA 0.589 55.421 54.840 -0.014 0.000 0.850 279 L CB 0.059 42.093 42.059 -0.041 0.000 0.966 279 L HN 0.408 nan 8.230 nan 0.000 0.454 280 G N -0.238 108.566 108.800 0.008 0.000 2.138 280 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.193 280 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.193 280 G C 0.245 175.156 174.900 0.018 0.000 0.998 280 G CA -0.118 44.992 45.100 0.017 0.000 0.668 280 G HN 0.442 nan 8.290 nan 0.000 0.516 281 A N -0.201 122.622 122.820 0.006 0.000 2.287 281 A HA 0.812 5.132 4.320 -0.000 0.000 0.273 281 A C 0.676 178.280 177.584 0.033 0.000 1.091 281 A CA -0.262 51.779 52.037 0.007 0.000 0.817 281 A CB 0.470 19.441 19.000 -0.048 0.000 1.069 281 A HN 0.437 nan 8.150 nan 0.000 0.492 282 R N 0.560 121.097 120.500 0.062 0.000 2.204 282 R HA 0.407 4.747 4.340 -0.000 0.000 0.341 282 R C -1.218 175.142 176.300 0.101 0.000 1.035 282 R CA -0.303 55.852 56.100 0.092 0.000 0.887 282 R CB 0.948 31.351 30.300 0.170 0.000 1.114 282 R HN 0.457 nan 8.270 nan 0.000 0.473 283 V N 4.812 124.708 119.914 -0.029 0.000 2.461 283 V HA 0.222 4.342 4.120 -0.000 0.000 0.275 283 V C -0.499 175.466 176.094 -0.214 0.000 1.047 283 V CA -0.390 61.811 62.300 -0.166 0.000 0.955 283 V CB 0.483 31.949 31.823 -0.595 0.000 0.988 283 V HN 0.528 nan 8.190 nan 0.000 0.471 284 Y N 4.342 124.539 120.300 -0.172 0.000 2.393 284 Y HA 0.660 5.210 4.550 -0.000 0.000 0.341 284 Y C -0.001 175.818 175.900 -0.134 0.000 0.988 284 Y CA -1.068 56.966 58.100 -0.109 0.000 1.078 284 Y CB 1.808 40.221 38.460 -0.078 0.000 1.203 284 Y HN 0.348 nan 8.280 nan 0.000 0.453 285 I N 2.460 123.040 120.570 0.016 0.000 2.569 285 I HA 0.389 4.559 4.170 -0.000 0.000 0.296 285 I C -0.087 176.050 176.117 0.033 0.000 1.028 285 I CA -0.738 60.553 61.300 -0.015 0.000 1.082 285 I CB 1.954 39.885 38.000 -0.116 0.000 1.264 285 I HN 0.654 nan 8.210 nan 0.000 0.429 286 T N 2.084 116.667 114.554 0.048 0.000 2.885 286 T HA 0.784 5.134 4.350 -0.000 0.000 0.285 286 T C -0.432 174.301 174.700 0.055 0.000 1.019 286 T CA -0.569 61.561 62.100 0.049 0.000 1.010 286 T CB 2.893 71.788 68.868 0.046 0.000 1.022 286 T HN 0.522 nan 8.240 nan 0.000 0.466 287 E N 0.782 121.011 120.200 0.048 0.000 2.407 287 E HA 0.347 4.697 4.350 -0.000 0.000 0.279 287 E C 0.263 176.890 176.600 0.044 0.000 1.012 287 E CA -0.615 55.819 56.400 0.057 0.000 0.800 287 E CB 2.056 31.795 29.700 0.065 0.000 1.276 287 E HN 0.845 nan 8.360 nan 0.000 0.452 288 I N -2.501 118.094 120.570 0.042 0.000 4.139 288 I HA 0.387 4.557 4.170 -0.000 0.000 0.320 288 I C 0.558 176.693 176.117 0.030 0.000 1.290 288 I CA -0.099 61.221 61.300 0.033 0.000 1.253 288 I CB 0.678 38.695 38.000 0.029 0.000 1.122 288 I HN 0.079 nan 8.210 nan 0.000 0.421 289 D N 3.800 124.221 120.400 0.036 0.000 2.317 289 D HA 0.230 4.870 4.640 -0.000 0.000 0.234 289 D C -1.476 174.845 176.300 0.035 0.000 1.112 289 D CA -2.500 51.519 54.000 0.033 0.000 0.840 289 D CB 1.784 42.605 40.800 0.035 0.000 1.078 289 D HN 0.025 nan 8.370 nan 0.000 0.486 290 P HA -0.137 nan 4.420 nan 0.000 0.218 290 P C 1.774 179.088 177.300 0.024 0.000 1.148 290 P CA 0.821 63.934 63.100 0.021 0.000 0.822 290 P CB 0.561 32.269 31.700 0.014 0.000 0.784 291 I N -0.483 120.103 120.570 0.027 0.000 2.252 291 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 291 I C 2.679 178.830 176.117 0.057 0.000 1.102 291 I CA 1.231 62.550 61.300 0.030 0.000 1.385 291 I CB -0.805 37.209 38.000 0.022 0.000 1.064 291 I HN 0.025 nan 8.210 nan 0.000 0.414 292 C N 0.737 120.086 119.300 0.082 0.000 2.440 292 C HA -0.045 4.415 4.460 -0.000 0.000 0.278 292 C C 3.199 178.279 174.990 0.150 0.000 1.295 292 C CA 0.749 59.866 59.018 0.166 0.000 1.738 292 C CB -1.134 26.713 27.740 0.178 0.000 1.987 292 C HN 0.583 nan 8.230 nan 0.000 0.492 293 A N 0.630 123.490 122.820 0.066 0.000 1.908 293 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 293 A C 1.997 179.562 177.584 -0.031 0.000 1.181 293 A CA 1.638 53.676 52.037 0.002 0.000 0.627 293 A CB -0.588 18.416 19.000 0.007 0.000 0.818 293 A HN 0.612 nan 8.150 nan 0.000 0.445 294 I N -0.617 119.951 120.570 -0.004 0.000 2.315 294 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 294 I C 2.712 178.816 176.117 -0.022 0.000 1.117 294 I CA 1.259 62.549 61.300 -0.017 0.000 1.404 294 I CB -0.414 37.584 38.000 -0.004 0.000 1.071 294 I HN 0.455 nan 8.210 nan 0.000 0.419 295 Q N 0.646 120.465 119.800 0.030 0.000 2.124 295 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 295 Q C 2.478 178.466 176.000 -0.020 0.000 0.977 295 Q CA 1.680 57.532 55.803 0.082 0.000 0.850 295 Q CB -0.253 28.636 28.738 0.252 0.000 0.901 295 Q HN 0.577 nan 8.270 nan 0.000 0.429 296 A N 0.376 123.047 122.820 -0.248 0.000 1.898 296 A HA -0.116 4.203 4.320 -0.000 0.000 0.216 296 A C 2.317 179.743 177.584 -0.262 0.000 1.181 296 A CA 1.195 52.896 52.037 -0.561 0.000 0.620 296 A CB -0.555 18.012 19.000 -0.722 0.000 0.819 296 A HN 0.203 nan 8.150 nan 0.000 0.442 297 V N 0.018 119.828 119.914 -0.175 0.000 2.427 297 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 297 V C 2.440 178.432 176.094 -0.170 0.000 1.051 297 V CA 1.716 63.932 62.300 -0.140 0.000 1.048 297 V CB -0.632 31.137 31.823 -0.090 0.000 0.666 297 V HN 0.496 nan 8.190 nan 0.000 0.456 298 M N -0.504 119.007 119.600 -0.148 0.000 2.632 298 M HA -0.019 4.461 4.480 -0.000 0.000 0.256 298 M C 1.545 177.719 176.300 -0.210 0.000 1.080 298 M CA 1.051 56.269 55.300 -0.137 0.000 1.084 298 M CB -0.827 31.726 32.600 -0.080 0.000 1.439 298 M HN 0.315 nan 8.290 nan 0.000 0.509 299 E N -0.432 119.551 120.200 -0.361 0.000 2.474 299 E HA 0.278 4.627 4.350 -0.000 0.000 0.195 299 E C 1.323 177.454 176.600 -0.782 0.000 1.039 299 E CA 0.372 56.422 56.400 -0.582 0.000 0.881 299 E CB 0.203 29.422 29.700 -0.801 0.000 0.970 299 E HN 0.568 nan 8.360 nan 0.000 0.486 300 G N 1.046 109.538 108.800 -0.515 0.000 2.157 300 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.239 300 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.239 300 G C 0.151 174.926 174.900 -0.208 0.000 0.982 300 G CA -0.218 44.680 45.100 -0.336 0.000 0.650 300 G HN 0.260 nan 8.290 nan 0.000 0.527 301 F N 0.407 120.253 119.950 -0.175 0.000 2.375 301 F HA 0.502 5.029 4.527 -0.000 0.000 0.333 301 F C 0.771 176.412 175.800 -0.265 0.000 1.104 301 F CA -1.166 56.694 58.000 -0.234 0.000 1.149 301 F CB 1.014 39.862 39.000 -0.253 0.000 1.190 301 F HN 0.016 nan 8.300 nan 0.000 0.533 302 N N 1.724 120.323 118.700 -0.168 0.000 2.419 302 N HA 0.229 4.968 4.740 -0.000 0.000 0.264 302 N C -1.239 174.207 175.510 -0.107 0.000 1.031 302 N CA -0.239 52.678 53.050 -0.222 0.000 0.951 302 N CB 1.277 39.478 38.487 -0.477 0.000 1.101 302 N HN 0.293 nan 8.380 nan 0.000 0.488 303 V N 4.525 124.414 119.914 -0.043 0.000 2.406 303 V HA 0.426 4.546 4.120 -0.000 0.000 0.272 303 V C 0.410 176.529 176.094 0.042 0.000 1.043 303 V CA -0.423 61.874 62.300 -0.005 0.000 0.915 303 V CB 0.710 32.518 31.823 -0.025 0.000 0.988 303 V HN 0.534 nan 8.190 nan 0.000 0.466 304 V N 2.163 122.126 119.914 0.081 0.000 3.165 304 V HA 0.839 4.959 4.120 -0.000 0.000 0.309 304 V C -0.146 175.989 176.094 0.068 0.000 1.267 304 V CA -0.630 61.725 62.300 0.092 0.000 1.067 304 V CB 2.170 34.086 31.823 0.156 0.000 1.082 304 V HN 0.757 nan 8.190 nan 0.000 0.451 305 T N -0.650 113.937 114.554 0.056 0.000 2.928 305 T HA 0.507 4.857 4.350 -0.000 0.000 0.284 305 T C 0.800 175.513 174.700 0.023 0.000 1.008 305 T CA -0.125 61.997 62.100 0.038 0.000 1.057 305 T CB 1.505 70.397 68.868 0.040 0.000 1.018 305 T HN 0.919 nan 8.240 nan 0.000 0.493 306 L N 1.324 122.532 121.223 -0.025 0.000 2.043 306 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 306 L C 2.110 178.948 176.870 -0.054 0.000 1.075 306 L CA 1.933 56.719 54.840 -0.090 0.000 0.752 306 L CB -0.947 40.908 42.059 -0.341 0.000 0.891 306 L HN 0.770 nan 8.230 nan 0.000 0.432 307 D N -0.634 119.767 120.400 0.001 0.000 2.190 307 D HA -0.229 4.410 4.640 -0.000 0.000 0.200 307 D C 1.841 178.171 176.300 0.050 0.000 0.992 307 D CA 1.520 55.566 54.000 0.077 0.000 0.854 307 D CB 0.007 40.871 40.800 0.107 0.000 0.936 307 D HN 0.601 nan 8.370 nan 0.000 0.462 308 E N -0.289 119.934 120.200 0.038 0.000 2.216 308 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 308 E C 1.646 178.250 176.600 0.006 0.000 0.988 308 E CA 0.301 56.720 56.400 0.032 0.000 0.834 308 E CB 0.345 30.073 29.700 0.046 0.000 0.772 308 E HN 0.160 nan 8.360 nan 0.000 0.479 309 I N -0.627 119.939 120.570 -0.007 0.000 4.227 309 I HA -0.003 4.167 4.170 -0.000 0.000 0.334 309 I C 1.450 177.592 176.117 0.041 0.000 1.341 309 I CA 0.123 61.376 61.300 -0.078 0.000 1.123 309 I CB 0.950 38.806 38.000 -0.241 0.000 1.097 309 I HN -0.141 nan 8.210 nan 0.000 0.399 310 V N 0.856 120.841 119.914 0.118 0.000 2.660 310 V HA -0.258 3.862 4.120 -0.000 0.000 0.257 310 V C 1.744 177.936 176.094 0.164 0.000 1.088 310 V CA 2.451 64.864 62.300 0.188 0.000 1.106 310 V CB -0.483 31.349 31.823 0.015 0.000 0.686 310 V HN 0.421 nan 8.190 nan 0.000 0.481 311 D N -0.432 120.020 120.400 0.085 0.000 2.249 311 D HA -0.032 4.608 4.640 -0.000 0.000 0.205 311 D C 1.874 178.203 176.300 0.048 0.000 0.962 311 D CA 0.894 54.927 54.000 0.054 0.000 0.860 311 D CB 0.083 40.898 40.800 0.024 0.000 0.955 311 D HN 0.547 nan 8.370 nan 0.000 0.505 312 K N 0.453 120.865 120.400 0.020 0.000 2.374 312 K HA 0.198 4.518 4.320 -0.000 0.000 0.202 312 K C 1.065 177.630 176.600 -0.060 0.000 1.040 312 K CA -0.204 56.067 56.287 -0.028 0.000 1.085 312 K CB 1.424 33.879 32.500 -0.076 0.000 0.873 312 K HN -0.115 nan 8.250 nan 0.000 0.539 313 G N 1.732 110.515 108.800 -0.028 0.000 2.340 313 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.245 313 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.245 313 G C -0.039 174.749 174.900 -0.186 0.000 1.294 313 G CA -0.204 44.721 45.100 -0.292 0.000 0.896 313 G HN 0.047 nan 8.290 nan 0.000 0.522 314 D N 0.984 121.238 120.400 -0.244 0.000 2.262 314 D HA 0.054 4.694 4.640 -0.000 0.000 0.212 314 D C -0.009 176.024 176.300 -0.446 0.000 0.964 314 D CA 1.011 54.865 54.000 -0.244 0.000 0.875 314 D CB 0.386 41.103 40.800 -0.138 0.000 0.996 314 D HN 0.325 nan 8.370 nan 0.000 0.497 315 F N -0.202 119.598 119.950 -0.250 0.000 2.556 315 F HA 0.416 4.943 4.527 -0.000 0.000 0.314 315 F C -0.748 174.800 175.800 -0.419 0.000 1.106 315 F CA -0.983 56.926 58.000 -0.151 0.000 0.911 315 F CB 1.632 40.589 39.000 -0.072 0.000 1.190 315 F HN -0.347 nan 8.300 nan 0.000 0.448 316 F N 3.977 124.028 119.950 0.168 0.000 2.499 316 F HA 0.634 5.161 4.527 -0.000 0.000 0.333 316 F C -0.810 175.040 175.800 0.083 0.000 1.138 316 F CA -0.733 57.319 58.000 0.086 0.000 0.945 316 F CB 1.427 40.447 39.000 0.033 0.000 1.181 316 F HN 0.107 nan 8.300 nan 0.000 0.435 317 I N 2.387 123.069 120.570 0.186 0.000 2.436 317 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 317 I C -0.119 176.060 176.117 0.103 0.000 1.010 317 I CA -0.535 60.840 61.300 0.125 0.000 1.098 317 I CB 2.230 40.271 38.000 0.069 0.000 1.266 317 I HN 0.551 nan 8.210 nan 0.000 0.434 318 T N 1.465 116.075 114.554 0.093 0.000 2.795 318 T HA 0.496 4.846 4.350 -0.000 0.000 0.282 318 T C -0.003 174.734 174.700 0.062 0.000 0.980 318 T CA -0.597 61.550 62.100 0.079 0.000 1.012 318 T CB 0.936 69.851 68.868 0.078 0.000 0.936 318 T HN 0.689 nan 8.240 nan 0.000 0.457 319 C N 2.141 121.474 119.300 0.055 0.000 3.214 319 C HA 0.324 4.783 4.460 -0.000 0.000 0.261 319 C C 2.001 177.008 174.990 0.030 0.000 2.279 319 C CA -0.194 58.846 59.018 0.036 0.000 1.606 319 C CB -1.642 26.111 27.740 0.021 0.000 3.251 319 C HN 1.081 nan 8.230 nan 0.000 0.443 320 T N -2.751 111.829 114.554 0.044 0.000 3.044 320 T HA 0.315 4.664 4.350 -0.000 0.000 0.255 320 T C 1.750 176.444 174.700 -0.008 0.000 1.073 320 T CA 1.387 63.504 62.100 0.028 0.000 1.125 320 T CB -0.139 68.756 68.868 0.045 0.000 0.908 320 T HN 1.380 nan 8.240 nan 0.000 0.480 321 G N 1.638 110.442 108.800 0.007 0.000 2.160 321 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.251 321 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.251 321 G C 0.004 174.729 174.900 -0.292 0.000 1.008 321 G CA 0.316 45.314 45.100 -0.170 0.000 0.724 321 G HN 0.769 nan 8.290 nan 0.000 0.514 322 N N -1.004 117.686 118.700 -0.016 0.000 2.813 322 N HA 0.751 5.491 4.740 -0.000 0.000 0.320 322 N C 0.221 175.872 175.510 0.235 0.000 1.315 322 N CA 0.188 53.265 53.050 0.046 0.000 0.871 322 N CB 1.934 40.446 38.487 0.041 0.000 1.241 322 N HN 0.736 nan 8.380 nan 0.000 0.602 323 V N -1.826 118.187 119.914 0.164 0.000 2.815 323 V HA 0.535 4.654 4.120 -0.000 0.000 0.314 323 V C -0.640 175.510 176.094 0.094 0.000 1.064 323 V CA -0.773 61.621 62.300 0.157 0.000 0.952 323 V CB 1.430 33.331 31.823 0.129 0.000 1.020 323 V HN 0.717 nan 8.190 nan 0.000 0.439 324 D N 1.444 121.889 120.400 0.074 0.000 2.689 324 D HA -0.149 4.491 4.640 -0.000 0.000 0.237 324 D C 0.899 177.244 176.300 0.075 0.000 1.148 324 D CA 1.054 55.089 54.000 0.059 0.000 0.656 324 D CB -0.821 40.007 40.800 0.047 0.000 1.050 324 D HN 0.545 nan 8.370 nan 0.000 0.426 325 V N -0.517 119.442 119.914 0.076 0.000 2.446 325 V HA -0.029 4.091 4.120 -0.000 0.000 0.244 325 V C 1.533 177.673 176.094 0.077 0.000 1.039 325 V CA 0.933 63.276 62.300 0.072 0.000 1.045 325 V CB 0.237 32.099 31.823 0.065 0.000 0.681 325 V HN 0.332 nan 8.190 nan 0.000 0.459 326 I N 1.293 121.909 120.570 0.076 0.000 2.428 326 I HA 0.257 4.427 4.170 -0.000 0.000 0.279 326 I C 0.059 176.253 176.117 0.129 0.000 1.040 326 I CA -0.232 61.124 61.300 0.093 0.000 1.171 326 I CB 0.848 38.846 38.000 -0.002 0.000 1.312 326 I HN 0.166 nan 8.210 nan 0.000 0.470 327 K N 3.890 124.438 120.400 0.246 0.000 2.118 327 K HA 0.227 4.547 4.320 -0.000 0.000 0.240 327 K C 1.055 177.615 176.600 -0.068 0.000 1.035 327 K CA -0.769 55.531 56.287 0.023 0.000 0.899 327 K CB 1.270 33.719 32.500 -0.086 0.000 1.085 327 K HN 0.428 nan 8.250 nan 0.000 0.498 328 L N 2.236 123.389 121.223 -0.117 0.000 2.042 328 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 328 L C 2.153 178.888 176.870 -0.225 0.000 1.076 328 L CA 2.129 56.869 54.840 -0.168 0.000 0.749 328 L CB -0.798 41.151 42.059 -0.183 0.000 0.893 328 L HN 0.791 nan 8.230 nan 0.000 0.432 329 E N -1.838 118.202 120.200 -0.266 0.000 2.204 329 E HA -0.260 4.089 4.350 -0.000 0.000 0.195 329 E C 1.803 178.249 176.600 -0.257 0.000 0.990 329 E CA 1.191 57.423 56.400 -0.280 0.000 0.821 329 E CB -0.419 29.095 29.700 -0.310 0.000 0.750 329 E HN 0.584 nan 8.360 nan 0.000 0.477 330 H N 0.962 119.957 119.070 -0.125 0.000 2.343 330 H HA 0.070 4.625 4.556 -0.000 0.000 0.303 330 H C 2.382 177.585 175.328 -0.209 0.000 1.068 330 H CA 1.065 57.020 56.048 -0.155 0.000 1.359 330 H CB -0.214 29.449 29.762 -0.165 0.000 1.402 330 H HN 0.172 nan 8.280 nan 0.000 0.515 331 L N 0.266 121.441 121.223 -0.081 0.000 2.079 331 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 331 L C 2.149 178.945 176.870 -0.123 0.000 1.081 331 L CA 0.601 55.359 54.840 -0.135 0.000 0.752 331 L CB -0.402 41.594 42.059 -0.104 0.000 0.896 331 L HN 0.123 nan 8.230 nan 0.000 0.433 332 L N -0.433 120.708 121.223 -0.136 0.000 2.456 332 L HA -0.148 4.192 4.340 -0.000 0.000 0.224 332 L C 2.036 178.862 176.870 -0.073 0.000 1.148 332 L CA 1.591 56.359 54.840 -0.119 0.000 0.825 332 L CB -0.664 41.292 42.059 -0.171 0.000 0.937 332 L HN 0.180 nan 8.230 nan 0.000 0.450 333 K N -1.520 118.839 120.400 -0.068 0.000 2.358 333 K HA 0.219 4.539 4.320 -0.000 0.000 0.197 333 K C 0.489 177.069 176.600 -0.034 0.000 1.025 333 K CA -0.160 56.104 56.287 -0.038 0.000 1.104 333 K CB 0.284 32.774 32.500 -0.017 0.000 0.855 333 K HN 0.228 nan 8.250 nan 0.000 0.531 334 M N 2.467 122.027 119.600 -0.067 0.000 2.248 334 M HA 0.031 4.511 4.480 -0.000 0.000 0.337 334 M C 0.538 176.839 176.300 0.002 0.000 1.121 334 M CA 0.206 55.479 55.300 -0.044 0.000 1.155 334 M CB 0.405 32.935 32.600 -0.115 0.000 1.514 334 M HN 0.013 nan 8.290 nan 0.000 0.452 335 K N 1.988 122.411 120.400 0.038 0.000 2.187 335 K HA 0.111 4.430 4.320 -0.000 0.000 0.247 335 K C -0.127 176.481 176.600 0.013 0.000 1.019 335 K CA -0.621 55.680 56.287 0.022 0.000 0.893 335 K CB 0.384 32.897 32.500 0.022 0.000 1.025 335 K HN 0.661 nan 8.250 nan 0.000 0.500 336 N N 1.064 119.764 118.700 -0.000 0.000 2.513 336 N HA -0.085 4.654 4.740 -0.000 0.000 0.268 336 N C -0.389 175.113 175.510 -0.013 0.000 1.180 336 N CA 0.430 53.478 53.050 -0.004 0.000 0.948 336 N CB 0.107 38.589 38.487 -0.009 0.000 1.083 336 N HN 0.830 nan 8.380 nan 0.000 0.455 337 N N 0.434 119.138 118.700 0.007 0.000 2.925 337 N HA -0.187 4.553 4.740 -0.000 0.000 0.244 337 N C -0.971 174.558 175.510 0.032 0.000 1.000 337 N CA 0.970 54.037 53.050 0.028 0.000 0.895 337 N CB -1.306 37.147 38.487 -0.056 0.000 1.119 337 N HN 0.705 nan 8.380 nan 0.000 0.569 338 A N -0.270 122.563 122.820 0.022 0.000 2.445 338 A HA 0.493 4.813 4.320 -0.000 0.000 0.242 338 A C 0.427 178.036 177.584 0.041 0.000 1.075 338 A CA 0.182 52.239 52.037 0.033 0.000 0.777 338 A CB 0.665 19.756 19.000 0.153 0.000 1.013 338 A HN 0.191 nan 8.150 nan 0.000 0.493 339 V N 2.734 122.636 119.914 -0.020 0.000 2.459 339 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 339 V C -0.279 175.926 176.094 0.186 0.000 1.029 339 V CA -0.432 61.885 62.300 0.029 0.000 0.874 339 V CB 1.514 33.298 31.823 -0.066 0.000 0.985 339 V HN 0.637 nan 8.190 nan 0.000 0.438 340 V N 3.312 123.318 119.914 0.153 0.000 2.531 340 V HA 0.947 5.067 4.120 -0.000 0.000 0.301 340 V C 0.380 176.548 176.094 0.124 0.000 1.034 340 V CA -0.151 62.252 62.300 0.171 0.000 0.865 340 V CB 1.678 33.553 31.823 0.088 0.000 0.995 340 V HN 1.052 nan 8.190 nan 0.000 0.424 341 G N 2.589 111.470 108.800 0.135 0.000 2.696 341 G HA2 0.575 4.535 3.960 -0.000 0.000 0.295 341 G HA3 0.575 4.535 3.960 -0.000 0.000 0.295 341 G C -1.754 173.194 174.900 0.079 0.000 1.398 341 G CA -0.735 44.419 45.100 0.090 0.000 0.920 341 G HN 0.633 nan 8.290 nan 0.000 0.492 342 N N 0.035 118.766 118.700 0.051 0.000 2.321 342 N HA 0.512 5.252 4.740 -0.000 0.000 0.299 342 N C -0.163 175.366 175.510 0.032 0.000 1.048 342 N CA -0.838 52.237 53.050 0.042 0.000 0.836 342 N CB 1.922 40.422 38.487 0.021 0.000 1.269 342 N HN 0.342 nan 8.380 nan 0.000 0.486 343 I N 1.655 122.245 120.570 0.033 0.000 4.225 343 I HA 0.419 4.589 4.170 -0.000 0.000 0.327 343 I C 0.914 177.040 176.117 0.016 0.000 1.422 343 I CA -0.276 61.037 61.300 0.022 0.000 1.150 343 I CB 0.004 38.022 38.000 0.029 0.000 1.192 343 I HN 0.675 nan 8.210 nan 0.000 0.440 344 G N 0.587 109.405 108.800 0.030 0.000 2.964 344 G HA2 0.091 4.051 3.960 -0.000 0.000 0.191 344 G HA3 0.091 4.051 3.960 -0.000 0.000 0.191 344 G C -0.177 174.742 174.900 0.032 0.000 1.978 344 G CA 0.115 45.243 45.100 0.046 0.000 0.861 344 G HN 0.579 nan 8.290 nan 0.000 0.584 345 H N -2.507 116.477 119.070 -0.145 0.000 2.622 345 H HA 0.609 5.165 4.556 -0.000 0.000 0.363 345 H C 0.224 175.423 175.328 -0.214 0.000 1.151 345 H CA -1.101 54.738 56.048 -0.348 0.000 1.184 345 H CB 1.510 31.011 29.762 -0.435 0.000 1.643 345 H HN 0.303 nan 8.280 nan 0.000 0.531 346 F N 0.495 120.337 119.950 -0.181 0.000 3.093 346 F HA -0.421 4.106 4.527 -0.000 0.000 0.240 346 F C 1.379 177.030 175.800 -0.249 0.000 1.138 346 F CA 1.941 59.788 58.000 -0.255 0.000 1.408 346 F CB -0.919 37.889 39.000 -0.319 0.000 0.627 346 F HN 0.944 nan 8.300 nan 0.000 0.532 347 D N -1.470 118.920 120.400 -0.017 0.000 2.692 347 D HA 0.189 4.829 4.640 -0.000 0.000 0.290 347 D C 0.340 176.581 176.300 -0.100 0.000 1.455 347 D CA 0.134 54.089 54.000 -0.075 0.000 0.796 347 D CB -0.072 40.683 40.800 -0.074 0.000 1.131 347 D HN 0.365 nan 8.370 nan 0.000 0.467 348 D N 1.354 121.659 120.400 -0.159 0.000 2.240 348 D HA -0.051 4.588 4.640 -0.000 0.000 0.206 348 D C 1.801 178.090 176.300 -0.018 0.000 0.963 348 D CA 0.491 54.435 54.000 -0.094 0.000 0.863 348 D CB 0.399 41.146 40.800 -0.088 0.000 0.973 348 D HN 0.354 nan 8.370 nan 0.000 0.501 349 E N 0.218 120.411 120.200 -0.011 0.000 2.085 349 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 349 E C 0.557 177.179 176.600 0.035 0.000 0.994 349 E CA 0.722 57.160 56.400 0.063 0.000 0.801 349 E CB 0.345 30.097 29.700 0.087 0.000 0.743 349 E HN 0.315 nan 8.360 nan 0.000 0.453 350 I N 1.254 121.825 120.570 0.002 0.000 2.404 350 I HA 0.071 4.241 4.170 -0.000 0.000 0.293 350 I C 0.306 176.401 176.117 -0.037 0.000 0.992 350 I CA -0.393 60.902 61.300 -0.009 0.000 1.149 350 I CB 1.739 39.730 38.000 -0.014 0.000 1.315 350 I HN -0.151 nan 8.210 nan 0.000 0.446 351 Q N 4.430 124.212 119.800 -0.029 0.000 3.141 351 Q HA 0.056 4.396 4.340 -0.000 0.000 0.304 351 Q C 1.230 177.188 176.000 -0.070 0.000 1.305 351 Q CA -0.149 55.629 55.803 -0.042 0.000 0.929 351 Q CB 0.142 28.863 28.738 -0.027 0.000 1.701 351 Q HN 0.645 nan 8.270 nan 0.000 0.483 352 V N 0.559 120.392 119.914 -0.134 0.000 2.392 352 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 352 V C 1.868 177.770 176.094 -0.321 0.000 1.059 352 V CA 1.701 63.836 62.300 -0.276 0.000 1.051 352 V CB -0.323 31.231 31.823 -0.448 0.000 0.658 352 V HN 0.630 nan 8.190 nan 0.000 0.455 353 N N 0.251 118.824 118.700 -0.212 0.000 2.084 353 N HA -0.186 4.554 4.740 -0.000 0.000 0.190 353 N C 1.884 177.418 175.510 0.039 0.000 1.030 353 N CA 1.597 54.591 53.050 -0.093 0.000 0.849 353 N CB -0.271 38.181 38.487 -0.059 0.000 1.012 353 N HN 0.525 nan 8.380 nan 0.000 0.423 354 E N 0.924 121.140 120.200 0.027 0.000 2.085 354 E HA -0.131 4.218 4.350 -0.000 0.000 0.194 354 E C 1.920 178.597 176.600 0.128 0.000 0.994 354 E CA 0.470 56.912 56.400 0.070 0.000 0.801 354 E CB -0.319 29.395 29.700 0.024 0.000 0.743 354 E HN 0.201 nan 8.360 nan 0.000 0.453 355 L N -0.575 120.719 121.223 0.118 0.000 2.056 355 L HA -0.070 4.269 4.340 -0.000 0.000 0.207 355 L C 1.701 178.786 176.870 0.359 0.000 1.078 355 L CA 1.544 56.494 54.840 0.184 0.000 0.749 355 L CB -0.323 41.841 42.059 0.174 0.000 0.901 355 L HN 0.045 nan 8.230 nan 0.000 0.433 356 F N 0.142 120.126 119.950 0.056 0.000 2.293 356 F HA -0.079 4.448 4.527 -0.000 0.000 0.300 356 F C 1.921 177.769 175.800 0.080 0.000 1.086 356 F CA 0.777 58.813 58.000 0.061 0.000 1.375 356 F CB -0.710 38.316 39.000 0.044 0.000 1.045 356 F HN 0.287 nan 8.300 nan 0.000 0.516 357 N N -1.461 117.403 118.700 0.274 0.000 2.238 357 N HA -0.058 4.682 4.740 -0.000 0.000 0.222 357 N C -0.363 175.256 175.510 0.181 0.000 1.133 357 N CA -0.016 53.143 53.050 0.181 0.000 0.854 357 N CB 0.019 38.591 38.487 0.141 0.000 1.041 357 N HN 0.158 nan 8.380 nan 0.000 0.510 358 Y N 3.136 123.479 120.300 0.071 0.000 2.309 358 Y HA 0.076 4.626 4.550 -0.000 0.000 0.327 358 Y C 0.613 176.531 175.900 0.030 0.000 1.172 358 Y CA -1.123 57.003 58.100 0.044 0.000 1.280 358 Y CB 0.681 39.167 38.460 0.043 0.000 1.234 358 Y HN -0.029 nan 8.280 nan 0.000 0.512 359 K N 3.417 123.470 120.400 -0.579 0.000 2.447 359 K HA 0.382 4.701 4.320 -0.000 0.000 0.281 359 K C 0.721 177.154 176.600 -0.278 0.000 1.031 359 K CA 0.495 56.540 56.287 -0.402 0.000 1.019 359 K CB 0.001 32.241 32.500 -0.434 0.000 0.918 359 K HN 1.010 nan 8.250 nan 0.000 0.476 360 G N 2.812 111.553 108.800 -0.098 0.000 2.141 360 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.242 360 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.242 360 G C -0.102 174.832 174.900 0.056 0.000 0.982 360 G CA -0.200 44.887 45.100 -0.022 0.000 0.662 360 G HN 0.573 nan 8.290 nan 0.000 0.527 361 I N 1.116 121.734 120.570 0.080 0.000 2.353 361 I HA 0.329 4.499 4.170 -0.000 0.000 0.293 361 I C 0.465 176.636 176.117 0.090 0.000 0.992 361 I CA -0.702 60.661 61.300 0.105 0.000 1.268 361 I CB 1.260 39.340 38.000 0.133 0.000 1.387 361 I HN 0.286 nan 8.210 nan 0.000 0.478 362 H N 7.025 126.069 119.070 -0.044 0.000 2.511 362 H HA 0.528 5.084 4.556 -0.000 0.000 0.328 362 H C -1.087 174.165 175.328 -0.126 0.000 1.044 362 H CA -0.719 55.286 56.048 -0.071 0.000 1.212 362 H CB 1.441 31.176 29.762 -0.045 0.000 1.428 362 H HN 0.448 nan 8.280 nan 0.000 0.483 363 I N 4.738 125.144 120.570 -0.274 0.000 2.354 363 I HA 0.168 4.338 4.170 -0.000 0.000 0.292 363 I C -0.259 175.571 176.117 -0.479 0.000 0.989 363 I CA -0.232 60.799 61.300 -0.449 0.000 1.188 363 I CB 1.715 39.416 38.000 -0.499 0.000 1.342 363 I HN 0.590 nan 8.210 nan 0.000 0.457 364 E N 6.171 126.099 120.200 -0.453 0.000 2.216 364 E HA 0.171 4.521 4.350 -0.000 0.000 0.260 364 E C -0.883 175.616 176.600 -0.167 0.000 0.880 364 E CA -0.645 55.567 56.400 -0.314 0.000 0.765 364 E CB 1.320 30.800 29.700 -0.367 0.000 1.174 364 E HN 0.532 nan 8.360 nan 0.000 0.417 365 N N 3.909 122.549 118.700 -0.099 0.000 2.475 365 N HA 0.013 4.752 4.740 -0.000 0.000 0.267 365 N C 0.417 175.899 175.510 -0.046 0.000 1.169 365 N CA 0.095 53.110 53.050 -0.058 0.000 0.947 365 N CB 1.393 39.862 38.487 -0.030 0.000 1.061 365 N HN 0.263 nan 8.380 nan 0.000 0.466 366 V N 4.014 123.902 119.914 -0.043 0.000 2.575 366 V HA 0.023 4.142 4.120 -0.000 0.000 0.242 366 V C 0.636 176.713 176.094 -0.028 0.000 1.045 366 V CA 1.246 63.526 62.300 -0.033 0.000 1.065 366 V CB -0.305 31.496 31.823 -0.037 0.000 0.717 366 V HN 0.851 nan 8.190 nan 0.000 0.467 367 K N -1.130 119.248 120.400 -0.036 0.000 2.680 367 K HA 0.398 4.718 4.320 -0.000 0.000 0.295 367 K C -3.329 173.242 176.600 -0.048 0.000 1.052 367 K CA -1.729 54.537 56.287 -0.034 0.000 0.863 367 K CB 0.933 33.412 32.500 -0.034 0.000 1.549 367 K HN -0.229 nan 8.250 nan 0.000 0.391 368 P HA 0.021 nan 4.420 nan 0.000 0.262 368 P C -0.923 176.296 177.300 -0.136 0.000 1.182 368 P CA 0.700 63.752 63.100 -0.081 0.000 0.761 368 P CB 0.460 32.128 31.700 -0.053 0.000 0.795 369 Q N -0.580 119.085 119.800 -0.224 0.000 2.452 369 Q HA -0.147 4.192 4.340 -0.000 0.000 0.248 369 Q C -0.701 175.212 176.000 -0.145 0.000 0.874 369 Q CA 1.050 56.677 55.803 -0.293 0.000 1.208 369 Q CB -2.163 26.370 28.738 -0.342 0.000 1.569 369 Q HN 0.270 nan 8.270 nan 0.000 0.579 370 V N 0.748 120.607 119.914 -0.092 0.000 2.524 370 V HA 0.487 4.607 4.120 -0.000 0.000 0.297 370 V C -0.311 175.762 176.094 -0.035 0.000 1.035 370 V CA -0.834 61.431 62.300 -0.058 0.000 0.867 370 V CB 2.150 33.931 31.823 -0.071 0.000 1.004 370 V HN 0.082 nan 8.190 nan 0.000 0.426 371 D N 3.312 123.710 120.400 -0.002 0.000 2.433 371 D HA 0.485 5.125 4.640 -0.000 0.000 0.236 371 D C -0.606 175.674 176.300 -0.032 0.000 1.026 371 D CA -0.713 53.278 54.000 -0.014 0.000 0.884 371 D CB 3.060 43.881 40.800 0.036 0.000 1.384 371 D HN 0.367 nan 8.370 nan 0.000 0.477 372 R N 1.655 122.103 120.500 -0.087 0.000 2.343 372 R HA 0.443 4.783 4.340 -0.000 0.000 0.320 372 R C -1.086 175.120 176.300 -0.156 0.000 0.956 372 R CA -0.628 55.421 56.100 -0.085 0.000 0.836 372 R CB 0.605 30.861 30.300 -0.072 0.000 1.151 372 R HN 0.263 nan 8.270 nan 0.000 0.450 373 I N 2.859 123.365 120.570 -0.106 0.000 2.359 373 I HA 0.210 4.380 4.170 -0.000 0.000 0.294 373 I C 0.068 176.145 176.117 -0.066 0.000 0.987 373 I CA -0.032 61.191 61.300 -0.129 0.000 1.225 373 I CB 2.208 40.166 38.000 -0.070 0.000 1.366 373 I HN 0.507 nan 8.210 nan 0.000 0.466 374 T N 7.193 121.716 114.554 -0.052 0.000 2.738 374 T HA 0.505 4.855 4.350 -0.000 0.000 0.298 374 T C 0.297 175.025 174.700 0.045 0.000 0.962 374 T CA -0.496 61.617 62.100 0.022 0.000 0.972 374 T CB 0.041 68.966 68.868 0.095 0.000 0.928 374 T HN 0.246 nan 8.240 nan 0.000 0.474 375 L N 4.943 126.188 121.223 0.037 0.000 2.472 375 L HA 0.214 4.554 4.340 -0.000 0.000 0.260 375 L C -1.115 175.795 176.870 0.067 0.000 1.209 375 L CA -2.011 52.858 54.840 0.049 0.000 0.817 375 L CB 0.291 42.362 42.059 0.020 0.000 1.106 375 L HN 0.352 nan 8.230 nan 0.000 0.479 376 P HA -0.160 nan 4.420 nan 0.000 0.217 376 P C 0.710 178.043 177.300 0.056 0.000 1.148 376 P CA 1.191 64.347 63.100 0.093 0.000 0.828 376 P CB -0.038 31.751 31.700 0.149 0.000 0.783 377 N N -1.375 117.351 118.700 0.044 0.000 2.461 377 N HA 0.027 4.767 4.740 -0.000 0.000 0.188 377 N C 1.290 176.814 175.510 0.024 0.000 1.134 377 N CA 1.066 54.133 53.050 0.029 0.000 0.878 377 N CB -0.773 37.726 38.487 0.020 0.000 0.972 377 N HN 0.224 nan 8.380 nan 0.000 0.456 378 G N -0.309 108.508 108.800 0.029 0.000 2.213 378 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.236 378 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.236 378 G C -0.231 174.683 174.900 0.023 0.000 0.991 378 G CA -0.178 44.938 45.100 0.027 0.000 0.629 378 G HN 0.450 nan 8.290 nan 0.000 0.517 379 N N 1.349 120.060 118.700 0.018 0.000 2.492 379 N HA 0.415 5.155 4.740 -0.000 0.000 0.260 379 N C 0.040 175.558 175.510 0.014 0.000 1.215 379 N CA 0.464 53.521 53.050 0.012 0.000 0.923 379 N CB 0.657 39.148 38.487 0.007 0.000 1.092 379 N HN 0.451 nan 8.380 nan 0.000 0.448 380 K N 2.280 122.687 120.400 0.012 0.000 2.339 380 K HA 0.456 4.776 4.320 -0.000 0.000 0.264 380 K C -0.002 176.606 176.600 0.014 0.000 0.986 380 K CA -0.512 55.781 56.287 0.009 0.000 0.866 380 K CB 1.181 33.687 32.500 0.011 0.000 1.103 380 K HN 0.555 nan 8.250 nan 0.000 0.441 381 I N -0.246 120.331 120.570 0.011 0.000 2.863 381 I HA 0.562 4.732 4.170 -0.000 0.000 0.311 381 I C -0.527 175.607 176.117 0.028 0.000 1.026 381 I CA -1.204 60.111 61.300 0.025 0.000 1.077 381 I CB 1.351 39.362 38.000 0.018 0.000 1.262 381 I HN 0.416 nan 8.210 nan 0.000 0.461 382 I N 3.848 124.443 120.570 0.041 0.000 2.378 382 I HA 0.420 4.590 4.170 -0.000 0.000 0.291 382 I C -0.715 175.429 176.117 0.045 0.000 0.992 382 I CA -0.912 60.404 61.300 0.027 0.000 1.154 382 I CB 1.915 39.915 38.000 -0.000 0.000 1.315 382 I HN 0.327 nan 8.210 nan 0.000 0.448 383 V N 7.278 127.230 119.914 0.063 0.000 2.459 383 V HA 0.435 4.555 4.120 -0.000 0.000 0.295 383 V C 0.006 176.136 176.094 0.059 0.000 1.029 383 V CA -0.624 61.731 62.300 0.091 0.000 0.874 383 V CB 1.917 33.854 31.823 0.190 0.000 0.985 383 V HN 0.472 nan 8.190 nan 0.000 0.438 384 L N 3.771 125.017 121.223 0.039 0.000 2.307 384 L HA 0.606 4.946 4.340 -0.000 0.000 0.282 384 L C 1.109 177.980 176.870 0.002 0.000 1.051 384 L CA -0.578 54.267 54.840 0.008 0.000 0.804 384 L CB 1.370 43.436 42.059 0.012 0.000 1.197 384 L HN 0.902 nan 8.230 nan 0.000 0.431 385 A N 3.312 126.104 122.820 -0.047 0.000 2.715 385 A HA -0.272 4.047 4.320 -0.000 0.000 0.301 385 A C 1.129 178.756 177.584 0.071 0.000 1.515 385 A CA 1.151 53.151 52.037 -0.063 0.000 0.816 385 A CB -1.571 17.440 19.000 0.019 0.000 1.004 385 A HN 0.940 nan 8.150 nan 0.000 0.483 386 R N -3.070 117.451 120.500 0.036 0.000 3.387 386 R HA -0.230 4.110 4.340 -0.000 0.000 0.254 386 R C 1.428 177.680 176.300 -0.080 0.000 1.006 386 R CA 1.149 57.228 56.100 -0.036 0.000 0.677 386 R CB -2.306 28.001 30.300 0.012 0.000 1.063 386 R HN 2.383 nan 8.270 nan 0.000 0.453 387 G N -0.702 108.074 108.800 -0.040 0.000 2.179 387 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.260 387 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.260 387 G C 0.255 175.149 174.900 -0.010 0.000 0.977 387 G CA 0.593 45.668 45.100 -0.042 0.000 0.641 387 G HN 0.442 nan 8.290 nan 0.000 0.533 388 R N -0.556 119.967 120.500 0.038 0.000 2.607 388 R HA 0.618 4.958 4.340 -0.000 0.000 0.261 388 R C 0.939 177.269 176.300 0.051 0.000 1.051 388 R CA -1.057 55.072 56.100 0.048 0.000 1.110 388 R CB 0.634 30.994 30.300 0.100 0.000 1.158 388 R HN 0.173 nan 8.270 nan 0.000 0.543 389 L N 3.728 124.968 121.223 0.029 0.000 2.841 389 L HA -0.171 4.169 4.340 -0.000 0.000 0.282 389 L C 1.655 178.539 176.870 0.023 0.000 1.130 389 L CA 0.014 54.861 54.840 0.010 0.000 0.996 389 L CB -0.370 41.675 42.059 -0.023 0.000 1.364 389 L HN 0.616 nan 8.230 nan 0.000 0.466 390 L N 2.376 123.610 121.223 0.018 0.000 2.109 390 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 390 L C 1.941 178.814 176.870 0.007 0.000 1.086 390 L CA 1.822 56.671 54.840 0.016 0.000 0.760 390 L CB -0.858 41.215 42.059 0.023 0.000 0.910 390 L HN 0.709 nan 8.230 nan 0.000 0.437 391 N N 0.155 118.856 118.700 0.002 0.000 2.244 391 N HA -0.170 4.570 4.740 -0.000 0.000 0.183 391 N C 1.766 177.267 175.510 -0.016 0.000 1.016 391 N CA 1.473 54.528 53.050 0.008 0.000 0.866 391 N CB -0.492 38.017 38.487 0.037 0.000 0.980 391 N HN 0.441 nan 8.380 nan 0.000 0.430 392 L N -0.500 120.685 121.223 -0.063 0.000 2.477 392 L HA 0.282 4.622 4.340 -0.000 0.000 0.220 392 L C 2.393 179.263 176.870 0.001 0.000 1.106 392 L CA 0.400 55.187 54.840 -0.089 0.000 0.851 392 L CB 0.098 41.995 42.059 -0.270 0.000 0.994 392 L HN 0.395 nan 8.230 nan 0.000 0.462 393 G N -1.438 107.379 108.800 0.029 0.000 2.441 393 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.212 393 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.212 393 G C 1.295 176.191 174.900 -0.007 0.000 1.164 393 G CA 0.567 45.700 45.100 0.055 0.000 0.811 393 G HN 0.380 nan 8.290 nan 0.000 0.535 394 C N 0.234 119.527 119.300 -0.012 0.000 2.780 394 C HA 0.742 5.202 4.460 -0.000 0.000 0.267 394 C C 1.611 176.604 174.990 0.006 0.000 1.266 394 C CA -0.001 59.005 59.018 -0.020 0.000 1.709 394 C CB -0.674 27.049 27.740 -0.028 0.000 1.975 394 C HN 0.583 nan 8.230 nan 0.000 0.582 395 A N 0.837 123.670 122.820 0.022 0.000 3.886 395 A HA 0.640 4.960 4.320 -0.000 0.000 0.217 395 A C 0.727 178.349 177.584 0.065 0.000 0.876 395 A CA 0.737 52.801 52.037 0.047 0.000 0.726 395 A CB -0.343 18.685 19.000 0.047 0.000 1.479 395 A HN 0.294 nan 8.150 nan 0.000 0.792 396 T N -2.447 112.160 114.554 0.089 0.000 3.252 396 T HA 0.524 4.873 4.350 -0.000 0.000 0.286 396 T C 0.977 175.722 174.700 0.074 0.000 1.013 396 T CA 1.136 63.294 62.100 0.097 0.000 0.914 396 T CB -0.609 68.345 68.868 0.144 0.000 1.131 396 T HN 2.553 nan 8.240 nan 0.000 0.529 397 G N 2.015 110.843 108.800 0.047 0.000 2.697 397 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.240 397 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.240 397 G C -0.591 174.408 174.900 0.165 0.000 1.346 397 G CA -0.563 44.539 45.100 0.004 0.000 0.887 397 G HN 0.722 nan 8.290 nan 0.000 0.569 398 H N 1.690 120.777 119.070 0.029 0.000 2.913 398 H HA 0.337 4.893 4.556 -0.000 0.000 0.365 398 H C -1.332 173.983 175.328 -0.021 0.000 1.155 398 H CA -0.085 55.976 56.048 0.022 0.000 1.417 398 H CB -0.188 29.568 29.762 -0.009 0.000 1.386 398 H HN 0.546 nan 8.280 nan 0.000 0.614 399 P HA 0.088 nan 4.420 nan 0.000 0.276 399 P C 0.198 177.512 177.300 0.024 0.000 1.244 399 P CA -0.208 62.843 63.100 -0.083 0.000 0.801 399 P CB 0.856 32.335 31.700 -0.367 0.000 1.006 400 A N 2.131 124.980 122.820 0.048 0.000 1.917 400 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 400 A C 2.002 179.612 177.584 0.044 0.000 1.182 400 A CA 1.608 53.678 52.037 0.056 0.000 0.633 400 A CB -1.828 17.214 19.000 0.070 0.000 0.819 400 A HN 0.589 nan 8.150 nan 0.000 0.448 401 F N 0.108 120.042 119.950 -0.028 0.000 2.216 401 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 401 F C 2.211 178.020 175.800 0.014 0.000 1.085 401 F CA 1.784 59.773 58.000 -0.018 0.000 1.326 401 F CB 0.046 39.042 39.000 -0.007 0.000 1.027 401 F HN 0.051 nan 8.300 nan 0.000 0.497 402 V N -0.260 119.777 119.914 0.205 0.000 2.407 402 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 402 V C 2.278 178.435 176.094 0.105 0.000 1.041 402 V CA 1.315 63.768 62.300 0.255 0.000 1.040 402 V CB -0.411 31.499 31.823 0.145 0.000 0.671 402 V HN 0.233 nan 8.190 nan 0.000 0.455 403 M N -0.186 119.373 119.600 -0.068 0.000 2.358 403 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 403 M C 2.399 178.446 176.300 -0.421 0.000 1.064 403 M CA 1.367 56.437 55.300 -0.384 0.000 1.093 403 M CB -1.649 30.649 32.600 -0.503 0.000 1.401 403 M HN 0.434 nan 8.290 nan 0.000 0.440 404 S N 0.052 115.603 115.700 -0.248 0.000 2.382 404 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 404 S C 1.809 176.292 174.600 -0.195 0.000 1.027 404 S CA 1.064 59.139 58.200 -0.208 0.000 0.991 404 S CB -0.187 62.828 63.200 -0.310 0.000 0.823 404 S HN 0.399 nan 8.310 nan 0.000 0.469 405 F N 1.679 121.527 119.950 -0.171 0.000 2.113 405 F HA -0.029 4.497 4.527 -0.000 0.000 0.297 405 F C 2.918 178.703 175.800 -0.025 0.000 1.103 405 F CA 1.317 59.256 58.000 -0.103 0.000 1.248 405 F CB -0.735 38.228 39.000 -0.062 0.000 0.999 405 F HN 0.160 nan 8.300 nan 0.000 0.475 406 S N 0.068 115.827 115.700 0.098 0.000 2.356 406 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 406 S C 1.760 176.470 174.600 0.184 0.000 1.032 406 S CA 1.138 59.371 58.200 0.055 0.000 1.005 406 S CB -0.601 62.539 63.200 -0.100 0.000 0.867 406 S HN 0.174 nan 8.310 nan 0.000 0.449 407 F N 1.064 121.051 119.950 0.061 0.000 2.365 407 F HA 0.023 4.549 4.527 -0.001 0.000 0.300 407 F C 2.486 178.257 175.800 -0.049 0.000 1.090 407 F CA -0.993 57.016 58.000 0.016 0.000 1.408 407 F CB -1.531 37.469 39.000 0.000 0.000 1.060 407 F HN 0.259 nan 8.300 nan 0.000 0.534 408 C N 0.003 119.377 119.300 0.124 0.000 2.466 408 C HA -0.131 4.329 4.460 -0.000 0.000 0.278 408 C C 2.521 177.457 174.990 -0.090 0.000 1.288 408 C CA 0.967 59.940 59.018 -0.075 0.000 1.722 408 C CB -1.389 26.366 27.740 0.025 0.000 2.017 408 C HN 0.462 nan 8.230 nan 0.000 0.488 409 N N 0.070 118.839 118.700 0.115 0.000 2.244 409 N HA -0.135 4.604 4.740 -0.000 0.000 0.183 409 N C 1.958 177.557 175.510 0.148 0.000 1.016 409 N CA 0.857 54.016 53.050 0.181 0.000 0.866 409 N CB -0.127 38.451 38.487 0.152 0.000 0.980 409 N HN 0.496 nan 8.380 nan 0.000 0.430 410 Q N 0.175 120.058 119.800 0.139 0.000 2.020 410 Q HA -0.073 4.266 4.340 -0.000 0.000 0.202 410 Q C 1.973 178.010 176.000 0.061 0.000 0.982 410 Q CA 1.421 57.300 55.803 0.128 0.000 0.838 410 Q CB -0.683 28.168 28.738 0.188 0.000 0.899 410 Q HN 0.407 nan 8.270 nan 0.000 0.423 411 T N 1.063 115.602 114.554 -0.025 0.000 2.684 411 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 411 T C 1.714 176.377 174.700 -0.062 0.000 1.036 411 T CA 1.231 63.262 62.100 -0.114 0.000 1.148 411 T CB -0.497 68.211 68.868 -0.265 0.000 0.863 411 T HN 0.251 nan 8.240 nan 0.000 0.436 412 F N 1.209 121.147 119.950 -0.020 0.000 2.216 412 F HA -0.072 4.455 4.527 -0.000 0.000 0.300 412 F C 2.721 178.519 175.800 -0.004 0.000 1.085 412 F CA 0.379 58.353 58.000 -0.044 0.000 1.326 412 F CB -0.245 38.736 39.000 -0.031 0.000 1.027 412 F HN 0.164 nan 8.300 nan 0.000 0.497 413 A N -0.426 122.511 122.820 0.195 0.000 1.898 413 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 413 A C 2.160 179.801 177.584 0.096 0.000 1.181 413 A CA 1.101 53.210 52.037 0.120 0.000 0.620 413 A CB -0.456 18.597 19.000 0.089 0.000 0.819 413 A HN 0.253 nan 8.150 nan 0.000 0.442 414 Q N -0.542 119.310 119.800 0.087 0.000 2.079 414 Q HA -0.059 4.280 4.340 -0.000 0.000 0.200 414 Q C 2.131 178.209 176.000 0.130 0.000 0.974 414 Q CA 0.783 56.634 55.803 0.081 0.000 0.840 414 Q CB -0.449 28.310 28.738 0.035 0.000 0.898 414 Q HN 0.499 nan 8.270 nan 0.000 0.430 415 L N 1.018 122.311 121.223 0.115 0.000 2.017 415 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 415 L C 1.986 178.980 176.870 0.207 0.000 1.073 415 L CA 1.897 56.826 54.840 0.149 0.000 0.745 415 L CB -1.179 40.923 42.059 0.073 0.000 0.894 415 L HN 0.233 nan 8.230 nan 0.000 0.432 416 D N -0.766 119.746 120.400 0.186 0.000 2.144 416 D HA -0.193 4.447 4.640 -0.000 0.000 0.200 416 D C 2.166 178.613 176.300 0.244 0.000 0.978 416 D CA 0.630 54.753 54.000 0.204 0.000 0.833 416 D CB 0.196 41.122 40.800 0.210 0.000 0.961 416 D HN 0.033 nan 8.370 nan 0.000 0.470 417 L N 0.203 121.547 121.223 0.202 0.000 2.056 417 L HA -0.063 4.276 4.340 -0.000 0.000 0.207 417 L C 1.928 178.924 176.870 0.211 0.000 1.078 417 L CA 1.381 56.325 54.840 0.173 0.000 0.749 417 L CB -0.776 41.331 42.059 0.079 0.000 0.901 417 L HN 0.395 nan 8.230 nan 0.000 0.433 418 W N -0.176 121.151 121.300 0.045 0.000 2.418 418 W HA -0.163 4.497 4.660 -0.000 0.000 0.292 418 W C 1.993 178.535 176.519 0.038 0.000 1.213 418 W CA 0.974 58.335 57.345 0.028 0.000 1.283 418 W CB 0.000 29.469 29.460 0.015 0.000 1.119 418 W HN 0.281 nan 8.180 nan 0.000 0.542 419 Q N -0.164 119.709 119.800 0.123 0.000 2.378 419 Q HA -0.077 4.263 4.340 -0.000 0.000 0.205 419 Q C 0.901 176.870 176.000 -0.052 0.000 0.954 419 Q CA 0.786 56.600 55.803 0.019 0.000 0.901 419 Q CB -0.036 28.777 28.738 0.124 0.000 0.981 419 Q HN 0.165 nan 8.270 nan 0.000 0.483 420 N N 0.304 118.991 118.700 -0.021 0.000 2.275 420 N HA 0.017 4.757 4.740 -0.000 0.000 0.236 420 N C 0.538 176.010 175.510 -0.064 0.000 1.154 420 N CA 0.114 53.137 53.050 -0.046 0.000 0.866 420 N CB 0.599 39.067 38.487 -0.032 0.000 1.093 420 N HN 0.319 nan 8.380 nan 0.000 0.515 421 K N -0.264 120.048 120.400 -0.147 0.000 2.211 421 K HA 0.001 4.321 4.320 -0.000 0.000 0.203 421 K C 0.130 176.640 176.600 -0.150 0.000 1.050 421 K CA 1.095 57.283 56.287 -0.165 0.000 0.945 421 K CB 0.196 32.491 32.500 -0.341 0.000 0.732 421 K HN -0.195 nan 8.250 nan 0.000 0.451 422 D N 1.570 121.871 120.400 -0.165 0.000 2.342 422 D HA 0.019 4.658 4.640 -0.000 0.000 0.221 422 D C 0.199 176.446 176.300 -0.090 0.000 1.101 422 D CA 0.462 54.387 54.000 -0.126 0.000 0.837 422 D CB 0.669 41.387 40.800 -0.137 0.000 0.938 422 D HN 0.472 nan 8.370 nan 0.000 0.508 423 T N -2.073 112.429 114.554 -0.086 0.000 2.905 423 T HA 0.344 4.694 4.350 -0.000 0.000 0.283 423 T C 0.346 175.004 174.700 -0.070 0.000 1.031 423 T CA -1.027 61.025 62.100 -0.080 0.000 1.002 423 T CB 1.179 69.987 68.868 -0.100 0.000 1.200 423 T HN 0.075 nan 8.240 nan 0.000 0.560 424 N N -0.819 117.836 118.700 -0.074 0.000 2.458 424 N HA 0.202 4.942 4.740 -0.000 0.000 0.274 424 N C 0.973 176.422 175.510 -0.102 0.000 1.242 424 N CA -0.794 52.223 53.050 -0.056 0.000 0.904 424 N CB 0.551 39.021 38.487 -0.029 0.000 1.206 424 N HN 0.572 nan 8.380 nan 0.000 0.510 425 K N 0.525 120.800 120.400 -0.209 0.000 2.116 425 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 425 K C -0.477 175.794 176.600 -0.548 0.000 1.052 425 K CA 0.832 56.870 56.287 -0.414 0.000 0.952 425 K CB 0.165 32.286 32.500 -0.631 0.000 0.729 425 K HN 0.295 nan 8.250 nan 0.000 0.446 426 Y N 1.219 121.398 120.300 -0.200 0.000 2.341 426 Y HA 0.251 4.800 4.550 -0.000 0.000 0.338 426 Y C -0.049 175.846 175.900 -0.008 0.000 0.965 426 Y CA -1.247 56.664 58.100 -0.315 0.000 1.108 426 Y CB 1.972 40.208 38.460 -0.374 0.000 1.180 426 Y HN -0.003 nan 8.280 nan 0.000 0.458 427 E N 0.917 121.354 120.200 0.394 0.000 2.803 427 E HA 0.243 4.593 4.350 -0.000 0.000 0.250 427 E C -0.665 176.140 176.600 0.342 0.000 1.102 427 E CA -1.096 55.493 56.400 0.315 0.000 1.017 427 E CB 0.547 30.413 29.700 0.277 0.000 1.346 427 E HN 0.481 nan 8.360 nan 0.000 0.532 428 N N 1.664 120.495 118.700 0.218 0.000 3.178 428 N HA 0.130 4.869 4.740 -0.000 0.000 0.300 428 N C -1.036 174.546 175.510 0.120 0.000 1.242 428 N CA 0.367 53.517 53.050 0.167 0.000 1.192 428 N CB -0.047 38.498 38.487 0.098 0.000 1.463 428 N HN 0.236 nan 8.380 nan 0.000 0.539 429 K N -1.132 119.372 120.400 0.173 0.000 2.430 429 K HA 0.517 4.837 4.320 -0.000 0.000 0.268 429 K C -0.863 175.715 176.600 -0.037 0.000 1.043 429 K CA -0.922 55.349 56.287 -0.025 0.000 0.899 429 K CB 1.612 33.977 32.500 -0.224 0.000 1.472 429 K HN -0.218 nan 8.250 nan 0.000 0.451 430 V N 2.179 121.987 119.914 -0.178 0.000 2.383 430 V HA 0.322 4.442 4.120 -0.000 0.000 0.275 430 V C -1.099 174.861 176.094 -0.222 0.000 1.036 430 V CA -0.346 61.899 62.300 -0.092 0.000 0.889 430 V CB -0.036 31.744 31.823 -0.071 0.000 0.985 430 V HN 0.509 nan 8.190 nan 0.000 0.459 431 Y N 4.414 124.719 120.300 0.009 0.000 2.621 431 Y HA 0.776 5.326 4.550 -0.000 0.000 0.334 431 Y C -0.303 175.614 175.900 0.028 0.000 1.074 431 Y CA -1.202 56.926 58.100 0.046 0.000 1.149 431 Y CB 1.519 40.037 38.460 0.096 0.000 1.302 431 Y HN 0.343 nan 8.280 nan 0.000 0.501 432 L N 1.180 122.545 121.223 0.238 0.000 2.362 432 L HA 0.470 4.810 4.340 -0.000 0.000 0.271 432 L C -0.763 176.196 176.870 0.149 0.000 1.002 432 L CA -0.603 54.321 54.840 0.140 0.000 0.818 432 L CB 1.604 43.720 42.059 0.095 0.000 1.298 432 L HN 0.448 nan 8.230 nan 0.000 0.420 433 L N 4.605 125.886 121.223 0.097 0.000 2.485 433 L HA 0.219 4.559 4.340 -0.000 0.000 0.275 433 L C -1.593 175.302 176.870 0.042 0.000 1.207 433 L CA -1.379 53.504 54.840 0.072 0.000 0.855 433 L CB 0.118 42.202 42.059 0.041 0.000 1.114 433 L HN 0.475 nan 8.230 nan 0.000 0.485 434 P HA -0.021 nan 4.420 nan 0.000 0.268 434 P C 0.066 177.337 177.300 -0.048 0.000 1.208 434 P CA -0.398 62.721 63.100 0.032 0.000 0.777 434 P CB 0.826 32.601 31.700 0.125 0.000 0.875 435 K N 1.286 121.707 120.400 0.035 0.000 2.063 435 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 435 K C 2.098 178.687 176.600 -0.018 0.000 1.048 435 K CA 1.788 58.093 56.287 0.030 0.000 0.928 435 K CB -1.002 31.543 32.500 0.075 0.000 0.713 435 K HN 0.704 nan 8.250 nan 0.000 0.442 436 H N 0.180 119.226 119.070 -0.039 0.000 2.422 436 H HA -0.095 4.461 4.556 -0.000 0.000 0.298 436 H C 2.089 177.366 175.328 -0.086 0.000 1.098 436 H CA 1.130 57.138 56.048 -0.067 0.000 1.315 436 H CB -0.625 29.087 29.762 -0.082 0.000 1.382 436 H HN 0.127 nan 8.280 nan 0.000 0.523 437 L N 0.490 121.197 121.223 -0.859 0.000 2.093 437 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 437 L C 2.472 179.198 176.870 -0.240 0.000 1.085 437 L CA 1.280 55.731 54.840 -0.647 0.000 0.755 437 L CB -0.365 41.302 42.059 -0.653 0.000 0.904 437 L HN 0.189 nan 8.230 nan 0.000 0.435 438 D N 0.183 120.494 120.400 -0.148 0.000 2.117 438 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 438 D C 2.120 178.416 176.300 -0.007 0.000 0.987 438 D CA 1.199 55.166 54.000 -0.055 0.000 0.829 438 D CB 0.103 40.860 40.800 -0.072 0.000 0.961 438 D HN 0.362 nan 8.370 nan 0.000 0.460 439 E N 0.234 120.438 120.200 0.005 0.000 2.150 439 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 439 E C 1.987 178.618 176.600 0.051 0.000 0.985 439 E CA 0.498 56.946 56.400 0.081 0.000 0.814 439 E CB 0.102 29.873 29.700 0.118 0.000 0.752 439 E HN 0.196 nan 8.360 nan 0.000 0.466 440 K N 1.018 121.388 120.400 -0.050 0.000 2.002 440 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 440 K C 2.162 178.565 176.600 -0.328 0.000 1.048 440 K CA 1.173 57.347 56.287 -0.188 0.000 0.930 440 K CB -0.028 32.327 32.500 -0.242 0.000 0.714 440 K HN -0.055 nan 8.250 nan 0.000 0.438 441 V N 1.436 121.292 119.914 -0.097 0.000 2.282 441 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 441 V C 2.454 178.745 176.094 0.328 0.000 1.057 441 V CA 2.151 64.510 62.300 0.098 0.000 1.032 441 V CB -0.872 31.116 31.823 0.274 0.000 0.645 441 V HN 0.518 nan 8.190 nan 0.000 0.447 442 A N -0.526 122.496 122.820 0.335 0.000 1.908 442 A HA -0.206 4.113 4.320 -0.000 0.000 0.218 442 A C 2.246 180.072 177.584 0.403 0.000 1.181 442 A CA 2.023 54.341 52.037 0.469 0.000 0.627 442 A CB -0.639 18.564 19.000 0.337 0.000 0.818 442 A HN 0.502 nan 8.150 nan 0.000 0.445 443 L N -1.515 119.856 121.223 0.247 0.000 2.079 443 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 443 L C 2.462 179.535 176.870 0.338 0.000 1.081 443 L CA 1.190 56.178 54.840 0.246 0.000 0.752 443 L CB -0.514 41.656 42.059 0.184 0.000 0.896 443 L HN 0.472 nan 8.230 nan 0.000 0.433 444 Y N -0.983 119.413 120.300 0.159 0.000 2.333 444 Y HA -0.187 4.363 4.550 -0.000 0.000 0.290 444 Y C 2.507 178.304 175.900 -0.170 0.000 1.144 444 Y CA 0.635 58.713 58.100 -0.036 0.000 1.228 444 Y CB -0.811 37.550 38.460 -0.165 0.000 0.985 444 Y HN 0.347 nan 8.280 nan 0.000 0.542 445 H N -1.970 117.230 119.070 0.217 0.000 2.551 445 H HA 0.071 4.627 4.556 -0.000 0.000 0.271 445 H C 1.757 177.241 175.328 0.260 0.000 0.984 445 H CA -0.005 56.139 56.048 0.160 0.000 1.164 445 H CB 0.375 30.160 29.762 0.037 0.000 1.437 445 H HN 0.222 nan 8.280 nan 0.000 0.550 446 L N 1.484 122.897 121.223 0.317 0.000 2.017 446 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 446 L C 2.301 179.271 176.870 0.167 0.000 1.073 446 L CA 1.662 56.639 54.840 0.230 0.000 0.745 446 L CB -0.419 41.753 42.059 0.189 0.000 0.894 446 L HN 0.071 nan 8.230 nan 0.000 0.432 447 K N -0.622 119.861 120.400 0.139 0.000 2.032 447 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 447 K C 2.127 178.783 176.600 0.092 0.000 1.048 447 K CA 1.582 57.925 56.287 0.093 0.000 0.927 447 K CB -0.218 32.322 32.500 0.066 0.000 0.712 447 K HN 0.004 nan 8.250 nan 0.000 0.441 448 K N 1.457 121.937 120.400 0.133 0.000 2.152 448 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 448 K C 1.429 178.079 176.600 0.084 0.000 1.048 448 K CA 1.253 57.626 56.287 0.143 0.000 0.933 448 K CB -0.048 32.634 32.500 0.303 0.000 0.721 448 K HN 0.098 nan 8.250 nan 0.000 0.447 449 L N 0.624 121.910 121.223 0.106 0.000 2.592 449 L HA 0.121 4.461 4.340 -0.000 0.000 0.227 449 L C -0.139 176.737 176.870 0.010 0.000 1.127 449 L CA -0.113 54.738 54.840 0.018 0.000 0.884 449 L CB -0.339 41.753 42.059 0.055 0.000 1.065 449 L HN 0.261 nan 8.230 nan 0.000 0.457 450 N N 0.319 119.036 118.700 0.029 0.000 2.735 450 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 450 N C 0.099 175.622 175.510 0.022 0.000 1.083 450 N CA 0.891 53.953 53.050 0.019 0.000 0.703 450 N CB -0.857 37.629 38.487 -0.002 0.000 1.005 450 N HN 0.377 nan 8.380 nan 0.000 0.550 451 A N 0.202 123.047 122.820 0.042 0.000 2.249 451 A HA 0.546 4.866 4.320 -0.000 0.000 0.314 451 A C 0.348 177.960 177.584 0.047 0.000 1.290 451 A CA -0.260 51.801 52.037 0.041 0.000 0.893 451 A CB 0.814 19.846 19.000 0.055 0.000 1.165 451 A HN 0.124 nan 8.150 nan 0.000 0.530 452 S N 2.334 118.053 115.700 0.032 0.000 2.411 452 S HA 0.355 4.825 4.470 -0.000 0.000 0.294 452 S C -0.120 174.497 174.600 0.027 0.000 1.115 452 S CA -0.286 57.932 58.200 0.031 0.000 1.071 452 S CB 0.148 63.361 63.200 0.021 0.000 0.967 452 S HN 0.630 nan 8.310 nan 0.000 0.488 453 L N 4.036 125.281 121.223 0.037 0.000 2.395 453 L HA 0.368 4.708 4.340 -0.000 0.000 0.269 453 L C 0.495 177.370 176.870 0.009 0.000 1.133 453 L CA 0.526 55.379 54.840 0.022 0.000 0.812 453 L CB 0.912 42.997 42.059 0.044 0.000 1.125 453 L HN 0.473 nan 8.230 nan 0.000 0.452 454 T N 3.569 118.111 114.554 -0.019 0.000 2.882 454 T HA 0.275 4.625 4.350 -0.000 0.000 0.287 454 T C -0.327 174.361 174.700 -0.019 0.000 0.992 454 T CA -0.555 61.533 62.100 -0.019 0.000 1.076 454 T CB 0.757 69.606 68.868 -0.032 0.000 0.961 454 T HN 0.403 nan 8.240 nan 0.000 0.490 455 E N 2.160 122.365 120.200 0.008 0.000 2.229 455 E HA 0.196 4.546 4.350 -0.000 0.000 0.283 455 E C -0.376 176.240 176.600 0.028 0.000 1.030 455 E CA -0.620 55.800 56.400 0.032 0.000 0.836 455 E CB 1.154 30.880 29.700 0.042 0.000 1.068 455 E HN 0.323 nan 8.360 nan 0.000 0.401 456 L N 3.570 124.824 121.223 0.051 0.000 2.456 456 L HA 0.025 4.365 4.340 -0.000 0.000 0.272 456 L C 0.350 177.258 176.870 0.063 0.000 1.189 456 L CA 0.506 55.382 54.840 0.060 0.000 0.846 456 L CB 0.526 42.659 42.059 0.124 0.000 1.111 456 L HN 0.431 nan 8.230 nan 0.000 0.475 457 D N 1.052 121.481 120.400 0.050 0.000 2.387 457 D HA 0.096 4.736 4.640 -0.000 0.000 0.251 457 D C 0.632 176.964 176.300 0.053 0.000 1.141 457 D CA -0.188 53.837 54.000 0.043 0.000 0.987 457 D CB 0.964 41.779 40.800 0.026 0.000 1.116 457 D HN 0.588 nan 8.370 nan 0.000 0.491 458 D N -0.194 120.232 120.400 0.044 0.000 2.097 458 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 458 D C 1.378 177.711 176.300 0.054 0.000 0.989 458 D CA 0.948 54.976 54.000 0.046 0.000 0.827 458 D CB -0.073 40.748 40.800 0.034 0.000 0.966 458 D HN 0.339 nan 8.370 nan 0.000 0.456 459 N N 0.750 119.478 118.700 0.046 0.000 2.142 459 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 459 N C 1.836 177.402 175.510 0.093 0.000 1.023 459 N CA 0.725 53.807 53.050 0.053 0.000 0.852 459 N CB -0.265 38.232 38.487 0.016 0.000 0.998 459 N HN 0.401 nan 8.380 nan 0.000 0.424 460 Q N 0.199 120.046 119.800 0.079 0.000 2.124 460 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 460 Q C 2.285 178.385 176.000 0.165 0.000 0.977 460 Q CA 1.047 56.923 55.803 0.121 0.000 0.850 460 Q CB -0.136 28.647 28.738 0.075 0.000 0.901 460 Q HN 0.405 nan 8.270 nan 0.000 0.429 461 C N 0.363 119.738 119.300 0.125 0.000 2.453 461 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 461 C C 2.706 177.759 174.990 0.104 0.000 1.262 461 C CA 0.897 59.984 59.018 0.115 0.000 1.718 461 C CB -0.823 26.971 27.740 0.090 0.000 2.031 461 C HN 0.575 nan 8.230 nan 0.000 0.480 462 Q N -0.556 119.307 119.800 0.105 0.000 2.084 462 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 462 Q C 2.071 178.138 176.000 0.111 0.000 0.978 462 Q CA 1.672 57.529 55.803 0.090 0.000 0.844 462 Q CB -0.319 28.472 28.738 0.088 0.000 0.898 462 Q HN 0.679 nan 8.270 nan 0.000 0.426 463 F N 0.879 120.840 119.950 0.017 0.000 2.102 463 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 463 F C 1.741 177.550 175.800 0.016 0.000 1.105 463 F CA 1.374 59.383 58.000 0.014 0.000 1.239 463 F CB -0.155 38.852 39.000 0.013 0.000 0.991 463 F HN 0.048 nan 8.300 nan 0.000 0.474 464 L N -0.279 120.964 121.223 0.034 0.000 2.313 464 L HA 0.116 4.456 4.340 -0.000 0.000 0.214 464 L C 1.529 178.358 176.870 -0.069 0.000 1.119 464 L CA 0.720 55.530 54.840 -0.051 0.000 0.809 464 L CB -1.121 40.988 42.059 0.084 0.000 0.933 464 L HN 0.409 nan 8.230 nan 0.000 0.449 465 G N 1.186 109.967 108.800 -0.032 0.000 2.256 465 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.272 465 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.272 465 G C -0.062 174.830 174.900 -0.014 0.000 1.076 465 G CA 0.320 45.401 45.100 -0.032 0.000 0.882 465 G HN 0.318 nan 8.290 nan 0.000 0.497 466 V N -3.468 116.455 119.914 0.015 0.000 3.160 466 V HA 0.790 4.910 4.120 -0.000 0.000 0.310 466 V C 0.244 176.341 176.094 0.005 0.000 1.181 466 V CA -1.477 60.825 62.300 0.003 0.000 1.047 466 V CB 2.055 33.903 31.823 0.042 0.000 1.068 466 V HN 0.343 nan 8.190 nan 0.000 0.441 467 N N 0.964 119.631 118.700 -0.055 0.000 2.530 467 N HA 0.196 4.936 4.740 -0.000 0.000 0.277 467 N C 0.608 176.109 175.510 -0.014 0.000 1.168 467 N CA -0.208 52.815 53.050 -0.046 0.000 0.979 467 N CB 1.755 40.190 38.487 -0.088 0.000 1.141 467 N HN 0.935 nan 8.380 nan 0.000 0.459 468 K N 0.910 121.341 120.400 0.051 0.000 2.442 468 K HA -0.008 4.311 4.320 -0.000 0.000 0.198 468 K C 0.706 177.403 176.600 0.161 0.000 1.044 468 K CA 0.976 57.347 56.287 0.140 0.000 0.948 468 K CB 0.218 32.779 32.500 0.103 0.000 0.762 468 K HN 0.398 nan 8.250 nan 0.000 0.472 469 S N -0.490 115.212 115.700 0.003 0.000 2.523 469 S HA 0.253 4.723 4.470 -0.000 0.000 0.217 469 S C 0.211 174.622 174.600 -0.315 0.000 0.996 469 S CA 0.087 58.273 58.200 -0.024 0.000 0.921 469 S CB 1.125 64.314 63.200 -0.017 0.000 0.829 469 S HN 0.621 nan 8.310 nan 0.000 0.495 470 G N 2.221 110.576 108.800 -0.742 0.000 2.661 470 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.685 470 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.685 470 G C -3.352 171.264 174.900 -0.473 0.000 1.298 470 G CA -1.372 43.029 45.100 -1.166 0.000 0.855 470 G HN 0.131 nan 8.290 nan 0.000 0.560 471 P HA 0.453 nan 4.420 nan 0.000 0.269 471 P C 0.309 177.347 177.300 -0.436 0.000 1.215 471 P CA -0.078 62.825 63.100 -0.327 0.000 0.780 471 P CB 0.150 31.799 31.700 -0.085 0.000 0.898 472 F N -0.509 119.448 119.950 0.012 0.000 2.731 472 F HA 0.190 4.717 4.527 -0.000 0.000 0.298 472 F C 1.227 176.954 175.800 -0.123 0.000 1.106 472 F CA 0.337 58.315 58.000 -0.036 0.000 1.329 472 F CB 0.292 39.278 39.000 -0.022 0.000 1.100 472 F HN 0.006 nan 8.300 nan 0.000 0.592 473 K N 0.372 120.780 120.400 0.012 0.000 2.350 473 K HA 0.444 4.764 4.320 -0.000 0.000 0.241 473 K C -0.031 176.540 176.600 -0.048 0.000 0.994 473 K CA -0.515 55.667 56.287 -0.174 0.000 0.839 473 K CB 1.695 33.923 32.500 -0.452 0.000 1.244 473 K HN -0.023 nan 8.250 nan 0.000 0.443 474 S N 0.007 115.688 115.700 -0.031 0.000 2.645 474 S HA 0.178 4.648 4.470 -0.000 0.000 0.266 474 S C 0.819 175.468 174.600 0.082 0.000 1.258 474 S CA -0.414 57.803 58.200 0.029 0.000 0.990 474 S CB 0.603 63.822 63.200 0.032 0.000 0.967 474 S HN 0.446 nan 8.310 nan 0.000 0.556 475 N N 0.967 119.712 118.700 0.074 0.000 2.364 475 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 475 N C 0.926 176.495 175.510 0.098 0.000 1.022 475 N CA 1.097 54.202 53.050 0.092 0.000 0.883 475 N CB -0.318 38.209 38.487 0.068 0.000 0.965 475 N HN 0.672 nan 8.380 nan 0.000 0.438 476 E N -0.440 119.808 120.200 0.081 0.000 2.481 476 E HA -0.004 4.346 4.350 -0.000 0.000 0.195 476 E C -0.113 176.522 176.600 0.058 0.000 1.047 476 E CA -0.186 56.249 56.400 0.059 0.000 0.867 476 E CB -0.246 29.475 29.700 0.036 0.000 0.858 476 E HN 0.301 nan 8.360 nan 0.000 0.513 477 Y N 1.671 121.932 120.300 -0.064 0.000 2.717 477 Y HA -0.124 4.426 4.550 -0.000 0.000 0.330 477 Y C 1.038 176.863 175.900 -0.124 0.000 1.217 477 Y CA 0.561 58.556 58.100 -0.175 0.000 1.506 477 Y CB 0.469 38.705 38.460 -0.374 0.000 1.268 477 Y HN -0.102 nan 8.280 nan 0.000 0.561 478 R N 3.851 123.961 120.500 -0.650 0.000 2.300 478 R HA 0.044 4.383 4.340 -0.000 0.000 0.199 478 R C -0.461 175.713 176.300 -0.210 0.000 0.920 478 R CA 0.026 55.933 56.100 -0.322 0.000 1.046 478 R CB -0.124 30.019 30.300 -0.262 0.000 0.984 478 R HN 0.812 nan 8.270 nan 0.000 0.493 479 Y N 0.000 119.949 120.300 -0.586 0.000 2.660 479 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 479 Y CA 0.000 58.028 58.100 -0.120 0.000 1.940 479 Y CB 0.000 38.509 38.460 0.082 0.000 1.050 479 Y HN 0.000 nan 8.280 nan 0.000 0.758