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 2mas_1_C DATA FIRST_RESID 2 DATA SEQUENCE AKKIILDCDP GLDDAVAILL AHGNPEIELL AITTVVGNQT LAKVTRNAQL DATA SEQUENCE VADIAGITGV PIAAGCDKPL VRKIMTAGHI HGESGMGTVA YPAEFKNKVD DATA SEQUENCE ERHAVNLIID LVMSHEPKTI TLVPTGGLTN IAMAARLEPR IVDRVKEVVL DATA SEQUENCE MGGGYHEGNA TSVAEFNIII DPEAAHIVFN ESWQVTMVGL DLTHQALATP DATA SEQUENCE PILQRVKEVD TNPARFMLEI MDYYTKIYQS NRYMAAAAVH DPCAVAYVID DATA SEQUENCE PSVMTTERVP VDIELTGKLT LGMTVADFRN PRPEHCHTQV AVKLDFEKFW DATA SEQUENCE GLVLDALERI GDP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.007 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 2 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 3 K N 2.004 122.397 120.400 -0.012 0.000 2.292 3 K HA 0.440 4.760 4.320 -0.000 0.000 0.270 3 K C -0.995 175.594 176.600 -0.019 0.000 1.062 3 K CA -0.253 56.024 56.287 -0.017 0.000 0.916 3 K CB 1.287 33.773 32.500 -0.024 0.000 1.166 3 K HN 0.267 nan 8.250 nan 0.000 0.458 4 K N 3.944 124.329 120.400 -0.024 0.000 2.322 4 K HA 0.292 4.612 4.320 -0.000 0.000 0.283 4 K C 0.181 176.749 176.600 -0.054 0.000 1.042 4 K CA -0.129 56.133 56.287 -0.042 0.000 0.958 4 K CB 0.399 32.859 32.500 -0.066 0.000 0.984 4 K HN 0.564 nan 8.250 nan 0.000 0.473 5 I N -0.688 119.851 120.570 -0.051 0.000 3.074 5 I HA 0.561 4.731 4.170 -0.000 0.000 0.310 5 I C -1.017 175.065 176.117 -0.057 0.000 1.153 5 I CA -1.288 59.980 61.300 -0.052 0.000 0.993 5 I CB 1.828 39.808 38.000 -0.033 0.000 1.237 5 I HN 0.417 nan 8.210 nan 0.000 0.443 6 I N 3.838 124.373 120.570 -0.058 0.000 2.418 6 I HA 0.343 4.513 4.170 -0.000 0.000 0.287 6 I C -1.177 174.913 176.117 -0.044 0.000 1.008 6 I CA -0.730 60.539 61.300 -0.051 0.000 1.104 6 I CB 2.058 40.027 38.000 -0.051 0.000 1.264 6 I HN 0.418 nan 8.210 nan 0.000 0.438 7 L N 6.671 127.873 121.223 -0.035 0.000 2.262 7 L HA 0.403 4.743 4.340 -0.000 0.000 0.288 7 L C -0.644 176.208 176.870 -0.029 0.000 1.035 7 L CA 0.117 54.940 54.840 -0.029 0.000 0.820 7 L CB 0.927 42.975 42.059 -0.019 0.000 1.204 7 L HN 0.470 nan 8.230 nan 0.000 0.424 8 D N 4.487 124.870 120.400 -0.029 0.000 2.329 8 D HA 0.563 5.203 4.640 -0.000 0.000 0.232 8 D C -0.683 175.607 176.300 -0.017 0.000 1.088 8 D CA -0.205 53.781 54.000 -0.024 0.000 0.835 8 D CB 0.632 41.419 40.800 -0.020 0.000 1.078 8 D HN 0.760 nan 8.370 nan 0.000 0.495 9 C N 2.261 121.550 119.300 -0.018 0.000 3.340 9 C HA 0.770 5.230 4.460 -0.000 0.000 0.333 9 C C -1.402 173.577 174.990 -0.018 0.000 1.464 9 C CA -0.867 58.144 59.018 -0.013 0.000 1.337 9 C CB 1.715 29.446 27.740 -0.014 0.000 1.740 9 C HN 0.639 nan 8.230 nan 0.000 0.450 10 D N -1.430 118.958 120.400 -0.020 0.000 2.739 10 D HA 0.314 4.954 4.640 -0.000 0.000 0.335 10 D C -2.883 173.375 176.300 -0.070 0.000 1.216 10 D CA -1.500 52.481 54.000 -0.032 0.000 0.808 10 D CB -0.160 40.638 40.800 -0.004 0.000 1.121 10 D HN 0.346 nan 8.370 nan 0.000 0.499 11 P HA 0.106 nan 4.420 nan 0.000 0.247 11 P C 0.394 177.640 177.300 -0.090 0.000 1.115 11 P CA 1.040 64.108 63.100 -0.054 0.000 0.799 11 P CB 0.375 32.064 31.700 -0.019 0.000 0.721 12 G N 1.846 110.546 108.800 -0.166 0.000 3.176 12 G HA2 0.380 4.340 3.960 -0.000 0.000 0.272 12 G HA3 0.380 4.340 3.960 -0.000 0.000 0.272 12 G C 0.703 175.573 174.900 -0.050 0.000 1.349 12 G CA -0.849 44.085 45.100 -0.276 0.000 0.953 12 G HN 0.298 nan 8.290 nan 0.000 0.559 13 L N 0.305 121.620 121.223 0.154 0.000 1.971 13 L HA -0.107 4.232 4.340 -0.000 0.000 0.215 13 L C 2.692 179.447 176.870 -0.192 0.000 1.072 13 L CA 2.159 56.952 54.840 -0.078 0.000 0.758 13 L CB -0.474 41.431 42.059 -0.257 0.000 0.889 13 L HN 0.703 nan 8.230 nan 0.000 0.433 14 D N -0.701 119.559 120.400 -0.233 0.000 2.224 14 D HA -0.173 4.467 4.640 -0.000 0.000 0.205 14 D C 1.396 177.690 176.300 -0.010 0.000 0.965 14 D CA 1.226 55.160 54.000 -0.110 0.000 0.852 14 D CB -0.473 40.324 40.800 -0.004 0.000 0.947 14 D HN 0.386 nan 8.370 nan 0.000 0.494 15 D N 1.231 121.623 120.400 -0.013 0.000 2.144 15 D HA -0.043 4.597 4.640 -0.000 0.000 0.199 15 D C 2.220 178.533 176.300 0.022 0.000 0.984 15 D CA 1.906 55.908 54.000 0.003 0.000 0.834 15 D CB -0.113 40.675 40.800 -0.021 0.000 0.955 15 D HN 0.325 nan 8.370 nan 0.000 0.465 16 A N 0.345 123.183 122.820 0.031 0.000 1.908 16 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 16 A C 2.325 179.967 177.584 0.097 0.000 1.181 16 A CA 1.179 53.272 52.037 0.093 0.000 0.627 16 A CB -0.810 18.280 19.000 0.149 0.000 0.818 16 A HN 0.162 nan 8.150 nan 0.000 0.445 17 V N -0.284 119.665 119.914 0.058 0.000 2.515 17 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 17 V C 2.964 179.091 176.094 0.055 0.000 1.058 17 V CA 1.705 64.043 62.300 0.064 0.000 1.064 17 V CB -1.182 30.678 31.823 0.063 0.000 0.675 17 V HN 0.615 nan 8.190 nan 0.000 0.461 18 A N 0.085 122.935 122.820 0.049 0.000 1.930 18 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 18 A C 2.176 179.786 177.584 0.043 0.000 1.175 18 A CA 1.621 53.684 52.037 0.043 0.000 0.627 18 A CB -0.450 18.573 19.000 0.040 0.000 0.815 18 A HN 0.505 nan 8.150 nan 0.000 0.443 19 I N -0.345 120.253 120.570 0.047 0.000 2.179 19 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 19 I C 2.384 178.550 176.117 0.081 0.000 1.088 19 I CA 1.103 62.430 61.300 0.046 0.000 1.357 19 I CB -0.415 37.602 38.000 0.028 0.000 1.051 19 I HN 0.288 nan 8.210 nan 0.000 0.409 20 L N 0.043 121.325 121.223 0.098 0.000 2.012 20 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 20 L C 2.634 179.559 176.870 0.092 0.000 1.073 20 L CA 1.177 56.090 54.840 0.122 0.000 0.748 20 L CB -0.630 41.502 42.059 0.121 0.000 0.891 20 L HN 0.294 nan 8.230 nan 0.000 0.431 21 L N 0.211 121.463 121.223 0.049 0.000 2.046 21 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 21 L C 2.588 179.473 176.870 0.024 0.000 1.077 21 L CA 2.019 56.865 54.840 0.010 0.000 0.747 21 L CB -0.684 41.361 42.059 -0.024 0.000 0.896 21 L HN 0.142 nan 8.230 nan 0.000 0.432 22 A N -1.644 121.204 122.820 0.048 0.000 1.969 22 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 22 A C 2.237 179.878 177.584 0.094 0.000 1.169 22 A CA 1.692 53.760 52.037 0.051 0.000 0.635 22 A CB -0.904 18.122 19.000 0.043 0.000 0.810 22 A HN 0.723 nan 8.150 nan 0.000 0.445 23 H N -0.493 118.574 119.070 -0.005 0.000 2.317 23 H HA 0.081 4.637 4.556 -0.000 0.000 0.304 23 H C 2.203 177.527 175.328 -0.007 0.000 1.067 23 H CA 1.752 57.797 56.048 -0.005 0.000 1.352 23 H CB -0.744 29.017 29.762 -0.001 0.000 1.398 23 H HN 0.274 nan 8.280 nan 0.000 0.510 24 G N 0.523 109.263 108.800 -0.099 0.000 2.422 24 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 24 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 24 G C 0.948 175.780 174.900 -0.114 0.000 1.140 24 G CA 0.182 45.179 45.100 -0.171 0.000 0.775 24 G HN 0.457 nan 8.290 nan 0.000 0.545 25 N N 0.936 119.597 118.700 -0.064 0.000 2.497 25 N HA 0.122 4.862 4.740 -0.000 0.000 0.268 25 N C -1.818 173.662 175.510 -0.049 0.000 1.171 25 N CA -1.267 51.751 53.050 -0.052 0.000 0.948 25 N CB 1.920 40.384 38.487 -0.038 0.000 1.069 25 N HN -0.113 nan 8.380 nan 0.000 0.460 26 P HA 0.014 nan 4.420 nan 0.000 0.234 26 P C 0.421 177.704 177.300 -0.027 0.000 1.167 26 P CA 0.720 63.797 63.100 -0.039 0.000 0.763 26 P CB 0.418 32.096 31.700 -0.037 0.000 0.835 27 E N -0.924 119.260 120.200 -0.027 0.000 2.385 27 E HA 0.047 4.397 4.350 -0.000 0.000 0.194 27 E C 0.415 177.004 176.600 -0.019 0.000 1.013 27 E CA 0.308 56.694 56.400 -0.024 0.000 0.866 27 E CB 0.003 29.685 29.700 -0.030 0.000 0.832 27 E HN 0.036 nan 8.360 nan 0.000 0.500 28 I N 1.391 121.953 120.570 -0.014 0.000 2.392 28 I HA 0.276 4.445 4.170 -0.000 0.000 0.295 28 I C -0.111 176.009 176.117 0.005 0.000 0.985 28 I CA -0.531 60.766 61.300 -0.005 0.000 1.221 28 I CB 1.434 39.435 38.000 0.001 0.000 1.366 28 I HN -0.011 nan 8.210 nan 0.000 0.467 29 E N 5.763 125.965 120.200 0.003 0.000 2.141 29 E HA 0.249 4.598 4.350 -0.000 0.000 0.259 29 E C -1.317 175.287 176.600 0.006 0.000 0.883 29 E CA -0.857 55.549 56.400 0.011 0.000 0.744 29 E CB 1.411 31.116 29.700 0.009 0.000 1.150 29 E HN 0.352 nan 8.360 nan 0.000 0.420 30 L N 6.679 127.914 121.223 0.021 0.000 2.363 30 L HA 0.141 4.481 4.340 -0.000 0.000 0.286 30 L C 0.592 177.459 176.870 -0.005 0.000 1.106 30 L CA 0.409 55.254 54.840 0.007 0.000 0.859 30 L CB 0.316 42.389 42.059 0.023 0.000 1.223 30 L HN 0.800 nan 8.230 nan 0.000 0.446 31 L N 4.309 125.516 121.223 -0.026 0.000 2.156 31 L HA 0.214 4.553 4.340 -0.000 0.000 0.208 31 L C 0.859 177.716 176.870 -0.022 0.000 1.095 31 L CA 0.751 55.574 54.840 -0.030 0.000 0.770 31 L CB -0.453 41.557 42.059 -0.082 0.000 0.914 31 L HN 0.776 nan 8.230 nan 0.000 0.439 32 A N -0.451 122.352 122.820 -0.030 0.000 2.583 32 A HA 0.627 4.947 4.320 -0.000 0.000 0.292 32 A C -1.420 176.143 177.584 -0.035 0.000 1.045 32 A CA -0.532 51.488 52.037 -0.029 0.000 0.672 32 A CB 0.952 19.937 19.000 -0.024 0.000 1.283 32 A HN -0.006 nan 8.150 nan 0.000 0.419 33 I N 2.203 122.749 120.570 -0.041 0.000 2.382 33 I HA 0.462 4.632 4.170 -0.000 0.000 0.286 33 I C 0.094 176.183 176.117 -0.048 0.000 1.002 33 I CA -0.351 60.922 61.300 -0.045 0.000 1.135 33 I CB 2.166 40.133 38.000 -0.055 0.000 1.288 33 I HN 0.765 nan 8.210 nan 0.000 0.448 34 T N 1.130 115.658 114.554 -0.044 0.000 2.855 34 T HA 0.668 5.018 4.350 -0.000 0.000 0.281 34 T C -0.055 174.614 174.700 -0.052 0.000 1.007 34 T CA -0.742 61.328 62.100 -0.050 0.000 1.009 34 T CB 1.802 70.648 68.868 -0.037 0.000 0.983 34 T HN 0.580 nan 8.240 nan 0.000 0.455 35 T N -0.686 113.827 114.554 -0.068 0.000 2.940 35 T HA 0.814 5.164 4.350 -0.000 0.000 0.288 35 T C -0.218 174.448 174.700 -0.056 0.000 1.033 35 T CA -0.763 61.301 62.100 -0.060 0.000 1.033 35 T CB 1.304 70.131 68.868 -0.068 0.000 1.079 35 T HN 0.976 nan 8.240 nan 0.000 0.496 36 V N -0.617 119.277 119.914 -0.033 0.000 3.159 36 V HA 0.704 4.824 4.120 -0.000 0.000 0.308 36 V C 0.204 176.297 176.094 -0.003 0.000 1.190 36 V CA -1.448 60.843 62.300 -0.015 0.000 1.037 36 V CB 1.314 33.141 31.823 0.006 0.000 1.060 36 V HN 1.021 nan 8.190 nan 0.000 0.437 37 V N 0.279 120.197 119.914 0.007 0.000 3.096 37 V HA 0.850 4.970 4.120 -0.000 0.000 0.306 37 V C 1.071 177.194 176.094 0.047 0.000 1.088 37 V CA 1.099 63.411 62.300 0.020 0.000 1.129 37 V CB 0.061 31.895 31.823 0.019 0.000 1.014 37 V HN 1.672 nan 8.190 nan 0.000 0.486 38 G N 1.625 110.478 108.800 0.089 0.000 2.229 38 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.089 38 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.089 38 G C 0.522 175.593 174.900 0.286 0.000 0.832 38 G CA 0.219 45.443 45.100 0.207 0.000 1.234 38 G HN 0.542 nan 8.290 nan 0.000 0.466 39 N N 0.228 119.015 118.700 0.145 0.000 2.137 39 N HA 0.002 4.742 4.740 -0.000 0.000 0.190 39 N C 0.888 176.411 175.510 0.023 0.000 1.017 39 N CA 1.493 54.521 53.050 -0.038 0.000 0.859 39 N CB 0.053 38.298 38.487 -0.404 0.000 1.002 39 N HN 0.212 nan 8.380 nan 0.000 0.428 40 Q N -1.096 118.719 119.800 0.024 0.000 2.693 40 Q HA 0.196 4.536 4.340 -0.000 0.000 0.306 40 Q C -0.796 175.219 176.000 0.024 0.000 0.969 40 Q CA -0.485 55.333 55.803 0.025 0.000 0.757 40 Q CB 1.199 29.940 28.738 0.005 0.000 1.494 40 Q HN 0.178 nan 8.270 nan 0.000 0.459 41 T N -1.126 113.435 114.554 0.012 0.000 2.900 41 T HA 0.140 4.490 4.350 -0.000 0.000 0.307 41 T C 1.433 176.127 174.700 -0.010 0.000 1.065 41 T CA -0.359 61.743 62.100 0.004 0.000 1.105 41 T CB 0.399 69.265 68.868 -0.002 0.000 0.979 41 T HN 0.526 nan 8.240 nan 0.000 0.544 42 L N 2.210 123.426 121.223 -0.013 0.000 2.064 42 L HA -0.113 4.227 4.340 -0.000 0.000 0.216 42 L C 2.672 179.516 176.870 -0.043 0.000 1.077 42 L CA 2.564 57.387 54.840 -0.029 0.000 0.766 42 L CB -1.364 40.677 42.059 -0.029 0.000 0.890 42 L HN 0.954 nan 8.230 nan 0.000 0.435 43 A N -0.829 121.968 122.820 -0.040 0.000 1.877 43 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 43 A C 2.332 179.876 177.584 -0.066 0.000 1.186 43 A CA 2.009 54.015 52.037 -0.052 0.000 0.620 43 A CB -0.512 18.462 19.000 -0.043 0.000 0.822 43 A HN 0.522 nan 8.150 nan 0.000 0.443 44 K N -0.574 119.793 120.400 -0.056 0.000 2.026 44 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 44 K C 1.870 178.443 176.600 -0.045 0.000 1.048 44 K CA 1.383 57.633 56.287 -0.062 0.000 0.929 44 K CB -0.449 32.029 32.500 -0.037 0.000 0.713 44 K HN 0.251 nan 8.250 nan 0.000 0.439 45 V N 1.350 121.241 119.914 -0.038 0.000 2.392 45 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 45 V C 2.058 178.117 176.094 -0.058 0.000 1.059 45 V CA 2.042 64.319 62.300 -0.038 0.000 1.051 45 V CB -0.470 31.331 31.823 -0.037 0.000 0.658 45 V HN 0.439 nan 8.190 nan 0.000 0.455 46 T N -0.772 113.734 114.554 -0.079 0.000 2.857 46 T HA -0.162 4.187 4.350 -0.000 0.000 0.266 46 T C 2.019 176.618 174.700 -0.169 0.000 1.048 46 T CA 1.419 63.452 62.100 -0.112 0.000 1.139 46 T CB -0.208 68.595 68.868 -0.107 0.000 0.874 46 T HN 0.420 nan 8.240 nan 0.000 0.455 47 R N 1.216 121.616 120.500 -0.168 0.000 2.081 47 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 47 R C 2.002 178.194 176.300 -0.180 0.000 1.131 47 R CA 1.419 57.363 56.100 -0.260 0.000 0.960 47 R CB -0.184 30.011 30.300 -0.175 0.000 0.856 47 R HN 0.246 nan 8.270 nan 0.000 0.436 48 N N 0.844 119.543 118.700 -0.002 0.000 2.120 48 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 48 N C 1.624 177.120 175.510 -0.022 0.000 1.024 48 N CA 1.575 54.683 53.050 0.096 0.000 0.852 48 N CB -0.453 38.097 38.487 0.106 0.000 1.003 48 N HN 0.325 nan 8.380 nan 0.000 0.424 49 A N 1.126 123.898 122.820 -0.080 0.000 1.940 49 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 49 A C 2.163 179.656 177.584 -0.153 0.000 1.176 49 A CA 1.349 53.328 52.037 -0.096 0.000 0.631 49 A CB -0.519 18.422 19.000 -0.097 0.000 0.814 49 A HN 0.365 nan 8.150 nan 0.000 0.446 50 Q N -1.189 118.446 119.800 -0.275 0.000 2.046 50 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 50 Q C 2.125 177.976 176.000 -0.247 0.000 0.975 50 Q CA 1.334 56.910 55.803 -0.379 0.000 0.836 50 Q CB -0.360 27.875 28.738 -0.838 0.000 0.896 50 Q HN 0.584 nan 8.270 nan 0.000 0.428 51 L N 0.766 121.868 121.223 -0.202 0.000 1.990 51 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 51 L C 2.309 179.106 176.870 -0.122 0.000 1.072 51 L CA 1.969 56.843 54.840 0.056 0.000 0.755 51 L CB -0.838 41.284 42.059 0.106 0.000 0.889 51 L HN 0.222 nan 8.230 nan 0.000 0.432 52 V N -0.897 118.932 119.914 -0.142 0.000 2.515 52 V HA -0.097 4.023 4.120 -0.000 0.000 0.250 52 V C 2.430 178.440 176.094 -0.140 0.000 1.058 52 V CA 1.605 63.792 62.300 -0.188 0.000 1.064 52 V CB -1.075 30.745 31.823 -0.006 0.000 0.675 52 V HN 0.513 nan 8.190 nan 0.000 0.461 53 A N -0.028 122.722 122.820 -0.116 0.000 1.972 53 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 53 A C 1.845 179.364 177.584 -0.108 0.000 1.169 53 A CA 2.031 53.991 52.037 -0.128 0.000 0.635 53 A CB -0.761 18.164 19.000 -0.124 0.000 0.810 53 A HN 0.625 nan 8.150 nan 0.000 0.446 54 D N -0.121 120.237 120.400 -0.071 0.000 2.091 54 D HA -0.045 4.595 4.640 -0.000 0.000 0.199 54 D C 1.826 178.081 176.300 -0.075 0.000 0.980 54 D CA 0.901 54.881 54.000 -0.033 0.000 0.831 54 D CB -0.285 40.546 40.800 0.052 0.000 0.987 54 D HN 0.451 nan 8.370 nan 0.000 0.460 55 I N 0.791 121.272 120.570 -0.149 0.000 2.264 55 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 55 I C 1.963 178.026 176.117 -0.091 0.000 1.111 55 I CA 1.136 62.322 61.300 -0.191 0.000 1.382 55 I CB -0.139 37.591 38.000 -0.451 0.000 1.060 55 I HN -0.045 nan 8.210 nan 0.000 0.418 56 A N 0.267 123.050 122.820 -0.062 0.000 2.251 56 A HA 0.310 4.630 4.320 -0.000 0.000 0.209 56 A C 1.681 179.310 177.584 0.076 0.000 1.187 56 A CA 0.624 52.689 52.037 0.047 0.000 0.823 56 A CB -0.618 18.435 19.000 0.087 0.000 0.846 56 A HN 0.554 nan 8.150 nan 0.000 0.486 57 G N 0.078 108.879 108.800 0.001 0.000 2.295 57 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.287 57 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.287 57 G C 0.017 174.912 174.900 -0.008 0.000 1.055 57 G CA 0.396 45.507 45.100 0.019 0.000 0.922 57 G HN 0.525 nan 8.290 nan 0.000 0.503 58 I N 1.163 121.627 120.570 -0.178 0.000 2.529 58 I HA 0.464 4.634 4.170 -0.000 0.000 0.284 58 I C 0.987 177.033 176.117 -0.117 0.000 1.082 58 I CA 0.512 61.629 61.300 -0.307 0.000 1.406 58 I CB 1.112 38.842 38.000 -0.450 0.000 1.405 58 I HN 0.371 nan 8.210 nan 0.000 0.548 59 T N 0.467 114.985 114.554 -0.059 0.000 2.900 59 T HA 0.605 4.955 4.350 -0.000 0.000 0.303 59 T C 0.403 175.096 174.700 -0.011 0.000 1.142 59 T CA -0.150 61.936 62.100 -0.023 0.000 1.007 59 T CB 1.868 70.738 68.868 0.003 0.000 1.156 59 T HN 1.030 nan 8.240 nan 0.000 0.490 60 G N 0.253 109.048 108.800 -0.008 0.000 2.143 60 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.249 60 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.249 60 G C -0.116 174.782 174.900 -0.003 0.000 0.981 60 G CA 0.010 45.111 45.100 0.001 0.000 0.665 60 G HN 1.325 nan 8.290 nan 0.000 0.528 61 V N 2.502 122.403 119.914 -0.022 0.000 2.407 61 V HA 0.537 4.657 4.120 -0.000 0.000 0.291 61 V C -1.590 174.484 176.094 -0.032 0.000 1.018 61 V CA -1.503 60.781 62.300 -0.027 0.000 0.842 61 V CB 2.062 33.856 31.823 -0.048 0.000 0.996 61 V HN 0.248 nan 8.190 nan 0.000 0.426 62 P HA 0.388 nan 4.420 nan 0.000 0.275 62 P C -0.814 176.463 177.300 -0.039 0.000 1.227 62 P CA -0.077 63.008 63.100 -0.025 0.000 0.781 62 P CB 1.305 32.998 31.700 -0.011 0.000 0.906 63 I N 2.099 122.640 120.570 -0.049 0.000 2.359 63 I HA 0.438 4.608 4.170 -0.000 0.000 0.284 63 I C 0.175 176.254 176.117 -0.063 0.000 1.018 63 I CA -0.702 60.560 61.300 -0.064 0.000 1.173 63 I CB 1.445 39.393 38.000 -0.085 0.000 1.326 63 I HN 0.333 nan 8.210 nan 0.000 0.462 64 A N 5.250 128.032 122.820 -0.063 0.000 2.303 64 A HA 0.865 5.185 4.320 -0.000 0.000 0.320 64 A C -0.005 177.514 177.584 -0.109 0.000 1.192 64 A CA -0.516 51.478 52.037 -0.072 0.000 0.821 64 A CB 1.153 20.122 19.000 -0.051 0.000 1.188 64 A HN 0.747 nan 8.150 nan 0.000 0.492 65 A N 1.867 124.605 122.820 -0.136 0.000 2.371 65 A HA 0.707 5.027 4.320 -0.000 0.000 0.257 65 A C 0.804 178.188 177.584 -0.333 0.000 1.089 65 A CA 0.386 52.318 52.037 -0.176 0.000 0.794 65 A CB 0.344 19.258 19.000 -0.142 0.000 1.029 65 A HN 1.612 nan 8.150 nan 0.000 0.488 66 G N -0.618 107.990 108.800 -0.320 0.000 3.234 66 G HA2 0.430 4.390 3.960 -0.000 0.000 0.159 66 G HA3 0.430 4.390 3.960 -0.000 0.000 0.159 66 G C -0.318 174.436 174.900 -0.245 0.000 1.175 66 G CA -0.242 44.568 45.100 -0.484 0.000 0.900 66 G HN 0.920 nan 8.290 nan 0.000 0.621 67 C N 1.652 120.950 119.300 -0.003 0.000 2.634 67 C HA 0.230 4.690 4.460 -0.000 0.000 0.418 67 C C 1.258 176.265 174.990 0.029 0.000 1.373 67 C CA 0.086 59.156 59.018 0.087 0.000 1.756 67 C CB 0.060 27.863 27.740 0.105 0.000 2.589 67 C HN 0.770 nan 8.230 nan 0.000 0.602 68 D N 0.678 121.100 120.400 0.037 0.000 2.363 68 D HA 0.096 4.736 4.640 -0.000 0.000 0.214 68 D C 0.189 176.500 176.300 0.019 0.000 1.093 68 D CA 0.289 54.300 54.000 0.017 0.000 0.837 68 D CB 0.267 41.076 40.800 0.015 0.000 0.948 68 D HN 0.619 nan 8.370 nan 0.000 0.507 69 K N 0.041 120.456 120.400 0.025 0.000 2.551 69 K HA 0.437 4.757 4.320 -0.000 0.000 0.269 69 K C -2.944 173.666 176.600 0.017 0.000 0.949 69 K CA -1.751 54.547 56.287 0.018 0.000 0.849 69 K CB 2.635 35.146 32.500 0.018 0.000 1.411 69 K HN -0.212 nan 8.250 nan 0.000 0.432 70 P HA 0.038 nan 4.420 nan 0.000 0.272 70 P C 0.463 177.769 177.300 0.010 0.000 1.240 70 P CA -0.524 62.578 63.100 0.002 0.000 0.791 70 P CB 0.511 32.202 31.700 -0.015 0.000 0.978 71 L N 2.215 123.447 121.223 0.014 0.000 1.989 71 L HA -0.171 4.168 4.340 -0.000 0.000 0.211 71 L C 1.720 178.594 176.870 0.006 0.000 1.071 71 L CA 2.273 57.122 54.840 0.015 0.000 0.749 71 L CB -0.796 41.276 42.059 0.021 0.000 0.890 71 L HN 0.212 nan 8.230 nan 0.000 0.431 72 V N -2.993 116.922 119.914 0.000 0.000 3.137 72 V HA 0.176 4.296 4.120 -0.000 0.000 0.236 72 V C 1.180 177.270 176.094 -0.008 0.000 1.260 72 V CA -0.241 62.056 62.300 -0.005 0.000 1.244 72 V CB 0.145 31.962 31.823 -0.010 0.000 1.016 72 V HN 0.138 nan 8.190 nan 0.000 0.477 73 R N 1.218 121.711 120.500 -0.011 0.000 2.649 73 R HA 0.329 4.669 4.340 -0.000 0.000 0.270 73 R C 0.152 176.445 176.300 -0.011 0.000 1.105 73 R CA -0.130 55.962 56.100 -0.014 0.000 1.193 73 R CB 0.283 30.569 30.300 -0.024 0.000 1.120 73 R HN 0.101 nan 8.270 nan 0.000 0.561 74 K N 1.284 121.678 120.400 -0.010 0.000 2.154 74 K HA 0.196 4.516 4.320 -0.000 0.000 0.264 74 K C 0.319 176.915 176.600 -0.007 0.000 1.008 74 K CA -0.204 56.080 56.287 -0.004 0.000 0.937 74 K CB 0.536 33.037 32.500 0.001 0.000 1.002 74 K HN 0.485 nan 8.250 nan 0.000 0.469 75 I N 2.142 122.712 120.570 -0.000 0.000 2.845 75 I HA -0.114 4.056 4.170 -0.000 0.000 0.296 75 I C 0.665 176.787 176.117 0.008 0.000 1.216 75 I CA 0.819 62.120 61.300 0.002 0.000 1.438 75 I CB 0.093 38.100 38.000 0.012 0.000 1.342 75 I HN 0.362 nan 8.210 nan 0.000 0.577 76 M N 7.108 126.710 119.600 0.004 0.000 2.183 76 M HA 0.316 4.796 4.480 -0.000 0.000 0.277 76 M C -0.553 175.806 176.300 0.099 0.000 0.995 76 M CA -0.381 54.937 55.300 0.030 0.000 0.969 76 M CB 1.697 34.283 32.600 -0.023 0.000 1.659 76 M HN 0.749 nan 8.290 nan 0.000 0.462 77 T N 1.112 115.769 114.554 0.171 0.000 2.919 77 T HA 0.879 5.229 4.350 -0.000 0.000 0.282 77 T C -0.053 174.848 174.700 0.335 0.000 1.020 77 T CA -0.530 61.730 62.100 0.266 0.000 0.994 77 T CB 1.903 70.850 68.868 0.131 0.000 1.180 77 T HN 0.703 nan 8.240 nan 0.000 0.566 78 A N -0.080 122.878 122.820 0.231 0.000 3.105 78 A HA 0.659 4.979 4.320 -0.000 0.000 0.297 78 A C 1.494 179.127 177.584 0.082 0.000 0.977 78 A CA -0.154 51.922 52.037 0.065 0.000 1.020 78 A CB -0.678 18.092 19.000 -0.383 0.000 1.098 78 A HN 1.111 nan 8.150 nan 0.000 0.497 79 G N -1.012 107.793 108.800 0.009 0.000 2.559 79 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.216 79 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.216 79 G C 1.001 175.883 174.900 -0.031 0.000 1.126 79 G CA 1.039 46.128 45.100 -0.019 0.000 0.778 79 G HN 0.792 nan 8.290 nan 0.000 0.543 80 H N -0.675 118.440 119.070 0.076 0.000 2.529 80 H HA 0.155 4.711 4.556 -0.000 0.000 0.277 80 H C 2.051 177.375 175.328 -0.007 0.000 0.999 80 H CA 0.145 56.214 56.048 0.035 0.000 1.256 80 H CB 0.403 30.170 29.762 0.008 0.000 1.402 80 H HN 0.271 nan 8.280 nan 0.000 0.566 81 I N -0.661 119.952 120.570 0.072 0.000 3.039 81 I HA -0.086 4.084 4.170 -0.000 0.000 0.270 81 I C 1.183 177.249 176.117 -0.085 0.000 1.150 81 I CA 1.066 62.310 61.300 -0.094 0.000 1.448 81 I CB -0.578 37.279 38.000 -0.239 0.000 1.197 81 I HN 0.420 nan 8.210 nan 0.000 0.450 82 H N 1.197 120.376 119.070 0.180 0.000 2.520 82 H HA 0.425 4.981 4.556 -0.000 0.000 0.284 82 H C 1.021 176.473 175.328 0.206 0.000 1.037 82 H CA 0.645 56.824 56.048 0.218 0.000 1.168 82 H CB 0.541 30.352 29.762 0.082 0.000 1.497 82 H HN 0.335 nan 8.280 nan 0.000 0.547 83 G N 1.568 110.571 108.800 0.338 0.000 2.828 83 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.463 83 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.463 83 G C 0.607 175.582 174.900 0.125 0.000 1.394 83 G CA 0.154 45.396 45.100 0.236 0.000 0.862 83 G HN 0.399 nan 8.290 nan 0.000 0.540 84 E N -0.362 119.889 120.200 0.086 0.000 2.072 84 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 84 E C 2.795 179.425 176.600 0.051 0.000 0.985 84 E CA 1.887 58.316 56.400 0.050 0.000 0.801 84 E CB -0.202 29.523 29.700 0.042 0.000 0.750 84 E HN 0.853 nan 8.360 nan 0.000 0.452 85 S N -1.097 114.647 115.700 0.074 0.000 2.447 85 S HA 0.018 4.488 4.470 -0.000 0.000 0.233 85 S C 1.735 176.402 174.600 0.112 0.000 1.006 85 S CA 1.025 59.289 58.200 0.106 0.000 0.957 85 S CB 0.032 63.380 63.200 0.248 0.000 0.773 85 S HN 0.547 nan 8.310 nan 0.000 0.507 86 G N 0.614 109.475 108.800 0.101 0.000 2.284 86 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.247 86 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.247 86 G C 0.394 175.357 174.900 0.106 0.000 1.012 86 G CA 0.494 45.650 45.100 0.093 0.000 0.618 86 G HN 0.615 nan 8.290 nan 0.000 0.521 87 M N 1.772 121.440 119.600 0.113 0.000 2.866 87 M HA 0.538 5.018 4.480 -0.000 0.000 0.319 87 M C 1.621 177.882 176.300 -0.065 0.000 1.244 87 M CA 0.546 55.891 55.300 0.075 0.000 0.974 87 M CB -0.432 32.246 32.600 0.132 0.000 1.291 87 M HN 1.575 nan 8.290 nan 0.000 0.513 88 G N 0.570 109.279 108.800 -0.152 0.000 3.434 88 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.343 88 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.343 88 G C 0.590 175.055 174.900 -0.724 0.000 1.240 88 G CA 1.102 45.752 45.100 -0.749 0.000 0.996 88 G HN 0.885 nan 8.290 nan 0.000 0.650 89 T N -1.934 112.293 114.554 -0.546 0.000 3.604 89 T HA 0.545 4.895 4.350 -0.000 0.000 0.305 89 T C 0.189 174.810 174.700 -0.132 0.000 0.978 89 T CA 0.662 62.589 62.100 -0.288 0.000 0.999 89 T CB 0.045 68.747 68.868 -0.277 0.000 1.204 89 T HN 1.817 nan 8.240 nan 0.000 0.476 90 V N -0.176 119.661 119.914 -0.129 0.000 2.686 90 V HA 0.938 5.058 4.120 -0.000 0.000 0.295 90 V C 0.417 176.365 176.094 -0.242 0.000 1.057 90 V CA -1.189 61.032 62.300 -0.132 0.000 1.012 90 V CB 0.668 32.448 31.823 -0.071 0.000 1.006 90 V HN 0.561 nan 8.190 nan 0.000 0.477 91 A N 3.788 126.507 122.820 -0.168 0.000 2.331 91 A HA 0.729 5.049 4.320 -0.000 0.000 0.283 91 A C -0.696 176.754 177.584 -0.223 0.000 1.142 91 A CA -0.458 51.524 52.037 -0.092 0.000 0.812 91 A CB 0.090 19.079 19.000 -0.019 0.000 1.074 91 A HN 0.850 nan 8.150 nan 0.000 0.497 92 Y N 2.269 122.577 120.300 0.013 0.000 2.335 92 Y HA 0.460 5.010 4.550 -0.000 0.000 0.323 92 Y C -1.240 174.576 175.900 -0.141 0.000 1.224 92 Y CA -1.881 56.214 58.100 -0.008 0.000 1.241 92 Y CB 0.177 38.685 38.460 0.080 0.000 1.235 92 Y HN 0.561 nan 8.280 nan 0.000 0.492 93 P HA 0.203 nan 4.420 nan 0.000 0.274 93 P C -0.049 177.052 177.300 -0.332 0.000 1.256 93 P CA -0.182 62.756 63.100 -0.270 0.000 0.795 93 P CB 1.158 32.642 31.700 -0.360 0.000 1.038 94 A N 0.126 122.806 122.820 -0.234 0.000 1.930 94 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 94 A C 1.014 178.448 177.584 -0.250 0.000 1.175 94 A CA 1.334 53.261 52.037 -0.183 0.000 0.627 94 A CB -0.515 18.419 19.000 -0.110 0.000 0.815 94 A HN 0.737 nan 8.150 nan 0.000 0.443 95 E N -2.043 117.973 120.200 -0.306 0.000 2.356 95 E HA 0.554 4.904 4.350 -0.000 0.000 0.275 95 E C -1.740 174.656 176.600 -0.341 0.000 0.904 95 E CA -0.773 55.473 56.400 -0.257 0.000 0.757 95 E CB 1.299 30.940 29.700 -0.100 0.000 1.232 95 E HN 0.187 nan 8.360 nan 0.000 0.442 96 F N 1.991 121.942 119.950 0.000 0.000 2.397 96 F HA 0.352 4.879 4.527 -0.000 0.000 0.331 96 F C 1.340 177.131 175.800 -0.015 0.000 1.090 96 F CA -0.434 57.562 58.000 -0.007 0.000 1.065 96 F CB 1.336 40.335 39.000 -0.002 0.000 1.184 96 F HN 0.451 nan 8.300 nan 0.000 0.499 97 K N 0.416 120.918 120.400 0.170 0.000 2.116 97 K HA 0.018 4.338 4.320 -0.000 0.000 0.203 97 K C 0.184 176.829 176.600 0.075 0.000 1.052 97 K CA 0.684 57.020 56.287 0.083 0.000 0.952 97 K CB -0.003 32.523 32.500 0.044 0.000 0.729 97 K HN 0.441 nan 8.250 nan 0.000 0.446 98 N N 2.025 120.773 118.700 0.080 0.000 2.444 98 N HA 0.073 4.812 4.740 -0.000 0.000 0.271 98 N C -0.677 174.843 175.510 0.017 0.000 1.069 98 N CA 0.161 53.222 53.050 0.020 0.000 0.965 98 N CB 1.008 39.478 38.487 -0.028 0.000 1.092 98 N HN -0.051 nan 8.380 nan 0.000 0.476 99 K N 1.086 121.487 120.400 0.003 0.000 2.156 99 K HA 0.379 4.699 4.320 -0.000 0.000 0.250 99 K C -0.257 176.323 176.600 -0.034 0.000 0.955 99 K CA -0.797 55.489 56.287 -0.001 0.000 0.855 99 K CB 1.720 34.228 32.500 0.014 0.000 1.101 99 K HN 0.153 nan 8.250 nan 0.000 0.434 100 V N 1.935 121.823 119.914 -0.044 0.000 2.572 100 V HA -0.039 4.081 4.120 -0.000 0.000 0.291 100 V C 0.744 176.818 176.094 -0.033 0.000 1.039 100 V CA -0.269 61.998 62.300 -0.055 0.000 1.055 100 V CB 0.591 32.376 31.823 -0.063 0.000 0.969 100 V HN 0.687 nan 8.190 nan 0.000 0.482 101 D N 2.663 123.043 120.400 -0.034 0.000 2.362 101 D HA -0.000 4.640 4.640 -0.000 0.000 0.238 101 D C 1.146 177.439 176.300 -0.012 0.000 1.212 101 D CA 0.245 54.234 54.000 -0.018 0.000 0.902 101 D CB 0.699 41.489 40.800 -0.017 0.000 1.180 101 D HN 0.729 nan 8.370 nan 0.000 0.445 102 E N 0.093 120.293 120.200 0.001 0.000 2.170 102 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 102 E C 0.203 176.816 176.600 0.021 0.000 0.981 102 E CA 0.291 56.697 56.400 0.009 0.000 0.830 102 E CB 0.363 30.070 29.700 0.012 0.000 0.775 102 E HN 0.318 nan 8.360 nan 0.000 0.470 103 R N 0.501 121.016 120.500 0.025 0.000 2.641 103 R HA 0.091 4.431 4.340 -0.000 0.000 0.269 103 R C 0.253 176.592 176.300 0.066 0.000 1.074 103 R CA -0.336 55.794 56.100 0.051 0.000 1.133 103 R CB 0.460 30.788 30.300 0.046 0.000 1.029 103 R HN 0.163 nan 8.270 nan 0.000 0.488 104 H N 1.334 120.406 119.070 0.002 0.000 2.722 104 H HA 0.066 4.622 4.556 -0.000 0.000 0.328 104 H C 0.713 176.043 175.328 0.004 0.000 1.067 104 H CA 0.344 56.393 56.048 0.002 0.000 1.447 104 H CB 1.467 31.231 29.762 0.004 0.000 1.469 104 H HN 0.784 nan 8.280 nan 0.000 0.544 105 A N 5.040 127.789 122.820 -0.117 0.000 1.940 105 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 105 A C 2.551 180.216 177.584 0.135 0.000 1.190 105 A CA 2.040 54.066 52.037 -0.019 0.000 0.647 105 A CB -0.851 18.085 19.000 -0.107 0.000 0.821 105 A HN 0.576 nan 8.150 nan 0.000 0.457 106 V N 0.763 120.904 119.914 0.377 0.000 2.392 106 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 106 V C 2.271 178.453 176.094 0.146 0.000 1.059 106 V CA 2.167 64.620 62.300 0.254 0.000 1.051 106 V CB -0.837 31.113 31.823 0.211 0.000 0.658 106 V HN 0.603 nan 8.190 nan 0.000 0.455 107 N N -0.248 118.544 118.700 0.154 0.000 2.207 107 N HA -0.062 4.678 4.740 -0.000 0.000 0.182 107 N C 1.724 177.278 175.510 0.073 0.000 1.020 107 N CA 0.993 54.093 53.050 0.083 0.000 0.858 107 N CB -0.281 38.247 38.487 0.068 0.000 0.991 107 N HN 0.358 nan 8.380 nan 0.000 0.427 108 L N 1.878 123.147 121.223 0.076 0.000 2.012 108 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 108 L C 2.002 178.902 176.870 0.050 0.000 1.073 108 L CA 1.299 56.171 54.840 0.053 0.000 0.748 108 L CB -0.737 41.343 42.059 0.036 0.000 0.891 108 L HN 0.060 nan 8.230 nan 0.000 0.431 109 I N -0.729 119.873 120.570 0.053 0.000 2.208 109 I HA -0.349 3.821 4.170 -0.000 0.000 0.245 109 I C 2.412 178.564 176.117 0.058 0.000 1.097 109 I CA 1.704 63.032 61.300 0.047 0.000 1.363 109 I CB -0.302 37.731 38.000 0.056 0.000 1.051 109 I HN 0.258 nan 8.210 nan 0.000 0.413 110 I N 0.040 120.648 120.570 0.064 0.000 2.315 110 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 110 I C 2.254 178.407 176.117 0.060 0.000 1.117 110 I CA 1.185 62.521 61.300 0.061 0.000 1.404 110 I CB -0.501 37.529 38.000 0.050 0.000 1.071 110 I HN 0.283 nan 8.210 nan 0.000 0.419 111 D N 1.129 121.565 120.400 0.059 0.000 2.078 111 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 111 D C 2.384 178.741 176.300 0.095 0.000 0.990 111 D CA 1.457 55.496 54.000 0.064 0.000 0.827 111 D CB -0.070 40.765 40.800 0.058 0.000 0.975 111 D HN 0.231 nan 8.370 nan 0.000 0.451 112 L N 0.399 121.679 121.223 0.096 0.000 2.012 112 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 112 L C 2.717 179.676 176.870 0.149 0.000 1.073 112 L CA 0.796 55.715 54.840 0.132 0.000 0.748 112 L CB -0.508 41.559 42.059 0.013 0.000 0.891 112 L HN -0.035 nan 8.230 nan 0.000 0.431 113 V N -0.804 119.156 119.914 0.077 0.000 2.427 113 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 113 V C 2.479 178.636 176.094 0.104 0.000 1.051 113 V CA 1.439 63.785 62.300 0.076 0.000 1.048 113 V CB -0.396 31.469 31.823 0.070 0.000 0.666 113 V HN 0.383 nan 8.190 nan 0.000 0.456 114 M N 0.617 120.273 119.600 0.093 0.000 2.349 114 M HA -0.030 4.450 4.480 -0.000 0.000 0.266 114 M C 2.362 178.707 176.300 0.075 0.000 1.076 114 M CA 1.790 57.134 55.300 0.073 0.000 1.126 114 M CB -1.187 31.444 32.600 0.051 0.000 1.392 114 M HN 0.619 nan 8.290 nan 0.000 0.440 115 S N -1.594 114.167 115.700 0.102 0.000 2.496 115 S HA 0.012 4.482 4.470 -0.000 0.000 0.224 115 S C 0.669 175.268 174.600 -0.002 0.000 0.996 115 S CA -0.037 58.190 58.200 0.045 0.000 0.927 115 S CB -0.395 62.816 63.200 0.018 0.000 0.774 115 S HN 0.407 nan 8.310 nan 0.000 0.524 116 H N 1.604 120.683 119.070 0.016 0.000 2.499 116 H HA 0.513 5.069 4.556 -0.000 0.000 0.352 116 H C 0.242 175.579 175.328 0.016 0.000 1.237 116 H CA -0.558 55.499 56.048 0.015 0.000 1.343 116 H CB 0.405 30.176 29.762 0.015 0.000 1.578 116 H HN 0.124 nan 8.280 nan 0.000 0.577 117 E N 1.809 122.092 120.200 0.137 0.000 2.415 117 E HA 0.074 4.424 4.350 -0.000 0.000 0.262 117 E C -2.163 174.488 176.600 0.084 0.000 1.038 117 E CA -1.416 55.032 56.400 0.080 0.000 0.921 117 E CB 0.094 29.831 29.700 0.062 0.000 0.950 117 E HN 0.410 nan 8.360 nan 0.000 0.438 118 P HA -0.056 nan 4.420 nan 0.000 0.267 118 P C -0.367 176.963 177.300 0.049 0.000 1.200 118 P CA 0.335 63.467 63.100 0.054 0.000 0.772 118 P CB 0.427 32.152 31.700 0.042 0.000 0.855 119 K N -0.253 120.176 120.400 0.048 0.000 3.069 119 K HA -0.153 4.167 4.320 -0.000 0.000 0.267 119 K C 0.697 177.315 176.600 0.029 0.000 1.082 119 K CA 1.581 57.891 56.287 0.039 0.000 0.782 119 K CB -2.851 29.671 32.500 0.036 0.000 1.230 119 K HN 0.751 nan 8.250 nan 0.000 0.488 120 T N -3.246 111.325 114.554 0.029 0.000 2.975 120 T HA 0.375 4.725 4.350 -0.000 0.000 0.257 120 T C 0.829 175.520 174.700 -0.014 0.000 1.003 120 T CA -0.268 61.843 62.100 0.018 0.000 0.932 120 T CB 0.347 69.243 68.868 0.045 0.000 1.087 120 T HN 0.218 nan 8.240 nan 0.000 0.512 121 I N 2.759 123.313 120.570 -0.028 0.000 2.441 121 I HA 0.483 4.653 4.170 -0.000 0.000 0.295 121 I C -0.119 175.968 176.117 -0.050 0.000 0.994 121 I CA -0.948 60.315 61.300 -0.063 0.000 1.144 121 I CB 2.177 40.116 38.000 -0.102 0.000 1.314 121 I HN 0.161 nan 8.210 nan 0.000 0.445 122 T N 5.665 120.184 114.554 -0.060 0.000 2.829 122 T HA 0.639 4.989 4.350 -0.000 0.000 0.280 122 T C -0.645 173.998 174.700 -0.095 0.000 0.999 122 T CA -0.702 61.355 62.100 -0.073 0.000 0.983 122 T CB 1.063 69.901 68.868 -0.049 0.000 0.968 122 T HN 0.362 nan 8.240 nan 0.000 0.446 123 L N 3.521 124.655 121.223 -0.148 0.000 2.312 123 L HA 0.611 4.951 4.340 -0.000 0.000 0.281 123 L C -0.429 176.352 176.870 -0.149 0.000 1.070 123 L CA -1.083 53.663 54.840 -0.156 0.000 0.805 123 L CB 1.708 43.629 42.059 -0.230 0.000 1.174 123 L HN 0.502 nan 8.230 nan 0.000 0.434 124 V N 4.278 124.132 119.914 -0.101 0.000 2.320 124 V HA 0.273 4.393 4.120 -0.000 0.000 0.268 124 V C -2.357 173.699 176.094 -0.064 0.000 1.021 124 V CA -1.395 60.858 62.300 -0.078 0.000 0.813 124 V CB 1.127 32.926 31.823 -0.040 0.000 1.054 124 V HN 0.586 nan 8.190 nan 0.000 0.444 125 P HA 0.338 nan 4.420 nan 0.000 0.286 125 P C 0.588 177.875 177.300 -0.022 0.000 1.269 125 P CA -0.096 62.976 63.100 -0.046 0.000 0.787 125 P CB 1.041 32.708 31.700 -0.055 0.000 0.920 126 T N -0.384 114.169 114.554 -0.002 0.000 3.252 126 T HA 0.535 4.885 4.350 -0.000 0.000 0.286 126 T C 0.550 175.272 174.700 0.037 0.000 1.013 126 T CA -0.327 61.784 62.100 0.018 0.000 0.914 126 T CB -0.315 68.565 68.868 0.020 0.000 1.131 126 T HN 0.382 nan 8.240 nan 0.000 0.529 127 G N -0.002 108.822 108.800 0.039 0.000 3.166 127 G HA2 0.684 4.644 3.960 -0.000 0.000 0.267 127 G HA3 0.684 4.644 3.960 -0.000 0.000 0.267 127 G C 0.097 175.037 174.900 0.065 0.000 1.256 127 G CA -0.397 44.742 45.100 0.066 0.000 0.859 127 G HN 0.440 nan 8.290 nan 0.000 0.590 128 G N -1.212 107.623 108.800 0.058 0.000 2.614 128 G HA2 0.398 4.358 3.960 -0.000 0.000 0.239 128 G HA3 0.398 4.358 3.960 -0.000 0.000 0.239 128 G C 0.445 175.369 174.900 0.040 0.000 1.240 128 G CA -0.532 44.584 45.100 0.027 0.000 0.842 128 G HN 0.453 nan 8.290 nan 0.000 0.584 129 L N 1.312 122.567 121.223 0.053 0.000 2.653 129 L HA 0.071 4.411 4.340 -0.000 0.000 0.232 129 L C 2.448 179.365 176.870 0.078 0.000 1.169 129 L CA -0.054 54.829 54.840 0.073 0.000 0.951 129 L CB -0.403 41.723 42.059 0.113 0.000 1.181 129 L HN 0.611 nan 8.230 nan 0.000 0.460 130 T N -0.534 114.056 114.554 0.059 0.000 2.635 130 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 130 T C 1.701 176.449 174.700 0.080 0.000 1.040 130 T CA 1.710 63.848 62.100 0.063 0.000 1.156 130 T CB -0.161 68.736 68.868 0.048 0.000 0.863 130 T HN 0.368 nan 8.240 nan 0.000 0.430 131 N N 1.152 119.898 118.700 0.076 0.000 2.166 131 N HA -0.029 4.711 4.740 -0.000 0.000 0.186 131 N C 1.810 177.382 175.510 0.104 0.000 1.019 131 N CA 0.826 53.932 53.050 0.093 0.000 0.856 131 N CB -0.408 38.119 38.487 0.066 0.000 0.993 131 N HN 0.304 nan 8.380 nan 0.000 0.426 132 I N 0.978 121.610 120.570 0.104 0.000 2.252 132 I HA -0.097 4.072 4.170 -0.000 0.000 0.245 132 I C 2.255 178.495 176.117 0.206 0.000 1.102 132 I CA 0.598 61.989 61.300 0.152 0.000 1.385 132 I CB -1.551 36.522 38.000 0.122 0.000 1.064 132 I HN 0.002 nan 8.210 nan 0.000 0.414 133 A N 0.830 123.749 122.820 0.165 0.000 1.898 133 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 133 A C 2.361 180.001 177.584 0.093 0.000 1.181 133 A CA 1.252 53.374 52.037 0.142 0.000 0.620 133 A CB -0.420 18.654 19.000 0.124 0.000 0.819 133 A HN 0.219 nan 8.150 nan 0.000 0.442 134 M N -0.293 119.358 119.600 0.084 0.000 2.065 134 M HA -0.176 4.304 4.480 -0.000 0.000 0.259 134 M C 2.585 178.917 176.300 0.053 0.000 1.069 134 M CA 1.783 57.117 55.300 0.057 0.000 1.110 134 M CB -1.442 31.195 32.600 0.062 0.000 1.328 134 M HN 0.493 nan 8.290 nan 0.000 0.405 135 A N 0.242 123.112 122.820 0.082 0.000 1.883 135 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 135 A C 2.390 180.011 177.584 0.061 0.000 1.186 135 A CA 2.354 54.439 52.037 0.080 0.000 0.624 135 A CB -0.991 18.078 19.000 0.114 0.000 0.822 135 A HN 0.525 nan 8.150 nan 0.000 0.444 136 A N -0.998 121.864 122.820 0.070 0.000 2.019 136 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 136 A C 2.238 179.784 177.584 -0.064 0.000 1.164 136 A CA 1.357 53.373 52.037 -0.036 0.000 0.644 136 A CB -0.346 18.581 19.000 -0.123 0.000 0.805 136 A HN 0.434 nan 8.150 nan 0.000 0.449 137 R N -1.356 119.131 120.500 -0.023 0.000 2.100 137 R HA 0.061 4.401 4.340 -0.000 0.000 0.220 137 R C 1.978 178.263 176.300 -0.024 0.000 1.091 137 R CA 0.938 57.020 56.100 -0.029 0.000 0.986 137 R CB -0.930 29.364 30.300 -0.011 0.000 0.888 137 R HN 0.507 nan 8.270 nan 0.000 0.444 138 L N 1.365 122.581 121.223 -0.012 0.000 2.093 138 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 138 L C 0.243 177.105 176.870 -0.014 0.000 1.085 138 L CA 1.687 56.519 54.840 -0.014 0.000 0.755 138 L CB -0.042 42.010 42.059 -0.012 0.000 0.904 138 L HN -0.007 nan 8.230 nan 0.000 0.435 139 E N -0.639 119.554 120.200 -0.012 0.000 2.761 139 E HA 0.251 4.601 4.350 -0.000 0.000 0.266 139 E C -2.096 174.487 176.600 -0.028 0.000 1.097 139 E CA -2.219 54.174 56.400 -0.012 0.000 0.773 139 E CB 0.810 30.514 29.700 0.006 0.000 1.453 139 E HN 0.040 nan 8.360 nan 0.000 0.388 140 P HA -0.140 nan 4.420 nan 0.000 0.228 140 P C 0.765 178.017 177.300 -0.080 0.000 1.151 140 P CA 0.546 63.593 63.100 -0.088 0.000 0.770 140 P CB 0.329 31.976 31.700 -0.088 0.000 0.786 141 R N 0.157 120.632 120.500 -0.041 0.000 2.235 141 R HA -0.004 4.336 4.340 -0.000 0.000 0.213 141 R C 2.431 178.730 176.300 -0.002 0.000 1.059 141 R CA 0.776 56.862 56.100 -0.023 0.000 0.997 141 R CB -0.718 29.578 30.300 -0.008 0.000 0.884 141 R HN 0.356 nan 8.270 nan 0.000 0.462 142 I N -1.796 118.781 120.570 0.011 0.000 2.676 142 I HA -0.111 4.059 4.170 -0.000 0.000 0.259 142 I C 2.109 178.292 176.117 0.110 0.000 1.194 142 I CA 0.794 62.137 61.300 0.072 0.000 1.473 142 I CB -0.306 37.762 38.000 0.113 0.000 1.096 142 I HN -0.082 nan 8.210 nan 0.000 0.443 143 V N 0.605 120.502 119.914 -0.029 0.000 2.515 143 V HA -0.190 3.930 4.120 -0.000 0.000 0.250 143 V C 1.827 177.964 176.094 0.072 0.000 1.058 143 V CA 2.159 64.407 62.300 -0.085 0.000 1.064 143 V CB -0.782 30.638 31.823 -0.672 0.000 0.675 143 V HN 0.387 nan 8.190 nan 0.000 0.461 144 D N -0.057 120.354 120.400 0.018 0.000 2.347 144 D HA 0.030 4.669 4.640 -0.000 0.000 0.213 144 D C 2.310 178.653 176.300 0.071 0.000 0.985 144 D CA 0.710 54.734 54.000 0.040 0.000 0.879 144 D CB 0.034 40.836 40.800 0.004 0.000 0.919 144 D HN 0.549 nan 8.370 nan 0.000 0.526 145 R N 0.144 120.695 120.500 0.086 0.000 2.156 145 R HA 0.109 4.449 4.340 -0.000 0.000 0.207 145 R C 0.756 177.113 176.300 0.095 0.000 1.040 145 R CA 0.019 56.168 56.100 0.081 0.000 1.013 145 R CB 0.379 30.723 30.300 0.073 0.000 0.931 145 R HN -0.054 nan 8.270 nan 0.000 0.465 146 V N 2.526 122.526 119.914 0.143 0.000 2.673 146 V HA -0.104 4.016 4.120 -0.000 0.000 0.303 146 V C 1.582 177.726 176.094 0.082 0.000 1.046 146 V CA 0.518 62.888 62.300 0.117 0.000 1.126 146 V CB 1.285 33.220 31.823 0.187 0.000 0.934 146 V HN 0.233 nan 8.190 nan 0.000 0.487 147 K N 3.236 123.654 120.400 0.029 0.000 2.001 147 K HA -0.062 4.258 4.320 -0.000 0.000 0.208 147 K C 0.603 177.211 176.600 0.013 0.000 1.048 147 K CA 1.718 58.019 56.287 0.022 0.000 0.932 147 K CB 0.240 32.742 32.500 0.004 0.000 0.715 147 K HN 0.949 nan 8.250 nan 0.000 0.437 148 E N -2.009 118.164 120.200 -0.044 0.000 2.417 148 E HA 0.211 4.561 4.350 -0.000 0.000 0.280 148 E C -1.589 174.870 176.600 -0.234 0.000 1.112 148 E CA -1.042 55.298 56.400 -0.100 0.000 0.863 148 E CB 1.308 30.984 29.700 -0.039 0.000 1.346 148 E HN -0.142 nan 8.360 nan 0.000 0.443 149 V N 1.223 120.913 119.914 -0.373 0.000 2.417 149 V HA 0.472 4.591 4.120 -0.000 0.000 0.291 149 V C -0.709 175.198 176.094 -0.312 0.000 1.024 149 V CA -0.736 61.287 62.300 -0.462 0.000 0.861 149 V CB 1.499 32.827 31.823 -0.825 0.000 0.985 149 V HN 0.535 nan 8.190 nan 0.000 0.436 150 V N 6.697 126.477 119.914 -0.223 0.000 2.349 150 V HA 0.502 4.622 4.120 -0.000 0.000 0.284 150 V C -0.419 175.580 176.094 -0.158 0.000 1.014 150 V CA -0.461 61.730 62.300 -0.182 0.000 0.826 150 V CB 1.314 33.098 31.823 -0.066 0.000 1.009 150 V HN 0.780 nan 8.190 nan 0.000 0.431 151 L N 2.494 123.614 121.223 -0.173 0.000 2.333 151 L HA 0.819 5.159 4.340 -0.000 0.000 0.269 151 L C -0.430 176.402 176.870 -0.064 0.000 1.010 151 L CA -0.668 54.107 54.840 -0.109 0.000 0.818 151 L CB 1.712 43.704 42.059 -0.112 0.000 1.306 151 L HN 0.509 nan 8.230 nan 0.000 0.430 152 M N 2.542 122.129 119.600 -0.023 0.000 2.080 152 M HA 0.774 5.254 4.480 -0.000 0.000 0.350 152 M C -0.322 175.990 176.300 0.021 0.000 1.173 152 M CA 0.065 55.364 55.300 -0.001 0.000 1.052 152 M CB -0.001 32.612 32.600 0.022 0.000 1.577 152 M HN 1.045 nan 8.290 nan 0.000 0.455 153 G N 2.329 111.145 108.800 0.026 0.000 2.361 153 G HA2 0.521 4.481 3.960 -0.000 0.000 0.299 153 G HA3 0.521 4.481 3.960 -0.000 0.000 0.299 153 G C -0.646 174.289 174.900 0.058 0.000 1.544 153 G CA 0.347 45.476 45.100 0.048 0.000 0.860 153 G HN 1.309 nan 8.290 nan 0.000 0.610 154 G N -1.279 107.541 108.800 0.034 0.000 2.698 154 G HA2 0.587 4.547 3.960 -0.000 0.000 0.225 154 G HA3 0.587 4.547 3.960 -0.000 0.000 0.225 154 G C 0.424 175.312 174.900 -0.019 0.000 1.345 154 G CA 0.784 45.893 45.100 0.015 0.000 0.871 154 G HN 2.834 nan 8.290 nan 0.000 0.540 155 G N -2.235 106.551 108.800 -0.023 0.000 1.895 155 G HA2 0.614 4.574 3.960 -0.000 0.000 0.302 155 G HA3 0.614 4.574 3.960 -0.000 0.000 0.302 155 G C 0.030 174.899 174.900 -0.052 0.000 1.691 155 G CA 0.376 45.419 45.100 -0.095 0.000 0.929 155 G HN 2.065 nan 8.290 nan 0.000 0.629 156 Y N -0.305 120.010 120.300 0.024 0.000 2.373 156 Y HA 0.171 4.721 4.550 -0.000 0.000 0.293 156 Y C 1.456 177.424 175.900 0.113 0.000 1.129 156 Y CA 1.497 59.608 58.100 0.019 0.000 1.226 156 Y CB 0.045 38.503 38.460 -0.003 0.000 1.000 156 Y HN 0.624 nan 8.280 nan 0.000 0.549 157 H N -0.657 118.345 119.070 -0.114 0.000 3.052 157 H HA 0.404 4.960 4.556 -0.000 0.000 0.257 157 H C -0.553 174.759 175.328 -0.027 0.000 1.193 157 H CA -0.337 55.723 56.048 0.020 0.000 1.072 157 H CB 0.747 30.555 29.762 0.078 0.000 1.685 157 H HN 0.292 nan 8.280 nan 0.000 0.630 158 E N 0.189 120.419 120.200 0.049 0.000 2.408 158 E HA 0.556 4.906 4.350 -0.000 0.000 0.275 158 E C -0.668 175.966 176.600 0.057 0.000 0.935 158 E CA -0.968 55.473 56.400 0.068 0.000 0.775 158 E CB 3.040 32.793 29.700 0.087 0.000 1.277 158 E HN 0.239 nan 8.360 nan 0.000 0.455 159 G N 0.311 109.166 108.800 0.091 0.000 2.695 159 G HA2 0.406 4.366 3.960 -0.000 0.000 0.290 159 G HA3 0.406 4.366 3.960 -0.000 0.000 0.290 159 G C -0.336 174.636 174.900 0.121 0.000 1.410 159 G CA -0.489 44.660 45.100 0.081 0.000 0.844 159 G HN 0.558 nan 8.290 nan 0.000 0.478 160 N N -1.875 116.894 118.700 0.115 0.000 2.354 160 N HA 0.116 4.856 4.740 -0.000 0.000 0.253 160 N C 1.912 177.489 175.510 0.112 0.000 1.096 160 N CA 1.196 54.324 53.050 0.130 0.000 0.820 160 N CB -0.250 38.334 38.487 0.163 0.000 1.610 160 N HN 0.603 nan 8.380 nan 0.000 0.501 161 A N 0.664 123.567 122.820 0.138 0.000 1.902 161 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 161 A C 1.424 179.066 177.584 0.097 0.000 1.181 161 A CA 2.102 54.232 52.037 0.154 0.000 0.623 161 A CB -0.978 18.131 19.000 0.180 0.000 0.818 161 A HN 0.687 nan 8.150 nan 0.000 0.443 162 T N -4.949 109.651 114.554 0.076 0.000 2.742 162 T HA 0.439 4.789 4.350 -0.000 0.000 0.282 162 T C 1.045 175.778 174.700 0.055 0.000 1.025 162 T CA 0.362 62.495 62.100 0.055 0.000 1.020 162 T CB 1.074 69.967 68.868 0.041 0.000 1.317 162 T HN 0.514 nan 8.240 nan 0.000 0.538 163 S N -0.096 115.631 115.700 0.045 0.000 2.419 163 S HA -0.092 4.378 4.470 -0.000 0.000 0.233 163 S C 1.662 176.293 174.600 0.052 0.000 1.016 163 S CA 1.281 59.508 58.200 0.046 0.000 0.974 163 S CB -0.947 62.274 63.200 0.035 0.000 0.786 163 S HN 1.466 nan 8.310 nan 0.000 0.492 164 V N -3.373 116.570 119.914 0.048 0.000 3.398 164 V HA 0.804 4.924 4.120 -0.000 0.000 0.298 164 V C 0.232 176.352 176.094 0.043 0.000 1.496 164 V CA -0.251 62.080 62.300 0.052 0.000 1.044 164 V CB -0.308 31.546 31.823 0.050 0.000 0.880 164 V HN 0.610 nan 8.190 nan 0.000 0.443 165 A N 0.311 123.155 122.820 0.039 0.000 2.374 165 A HA 0.782 5.102 4.320 -0.000 0.000 0.317 165 A C -0.545 177.066 177.584 0.045 0.000 1.094 165 A CA -0.513 51.541 52.037 0.027 0.000 0.765 165 A CB 1.708 20.715 19.000 0.012 0.000 1.268 165 A HN 0.268 nan 8.150 nan 0.000 0.438 166 E N 1.795 122.015 120.200 0.033 0.000 2.216 166 E HA 0.242 4.592 4.350 -0.000 0.000 0.279 166 E C 0.275 176.933 176.600 0.096 0.000 0.997 166 E CA -0.571 55.866 56.400 0.062 0.000 0.817 166 E CB 0.885 30.599 29.700 0.022 0.000 1.096 166 E HN 0.587 nan 8.360 nan 0.000 0.393 167 F N 5.674 125.621 119.950 -0.004 0.000 2.045 167 F HA -0.386 4.141 4.527 -0.000 0.000 0.297 167 F C 1.533 177.340 175.800 0.011 0.000 1.114 167 F CA 2.429 60.436 58.000 0.011 0.000 1.207 167 F CB -0.131 38.884 39.000 0.026 0.000 0.964 167 F HN 0.531 nan 8.300 nan 0.000 0.486 168 N N 0.527 119.340 118.700 0.189 0.000 2.192 168 N HA -0.199 4.541 4.740 -0.000 0.000 0.188 168 N C 1.841 177.328 175.510 -0.039 0.000 1.013 168 N CA 1.761 54.850 53.050 0.065 0.000 0.863 168 N CB -0.381 38.178 38.487 0.119 0.000 0.990 168 N HN 0.345 nan 8.380 nan 0.000 0.430 169 I N 0.244 120.798 120.570 -0.027 0.000 2.480 169 I HA -0.011 4.159 4.170 -0.000 0.000 0.251 169 I C 2.167 178.237 176.117 -0.079 0.000 1.124 169 I CA 0.405 61.685 61.300 -0.032 0.000 1.444 169 I CB -0.667 37.313 38.000 -0.034 0.000 1.098 169 I HN 0.091 nan 8.210 nan 0.000 0.428 170 I N 1.849 122.349 120.570 -0.118 0.000 2.676 170 I HA -0.201 3.969 4.170 -0.000 0.000 0.259 170 I C 2.361 178.367 176.117 -0.184 0.000 1.194 170 I CA 0.831 62.055 61.300 -0.127 0.000 1.473 170 I CB 0.206 38.148 38.000 -0.096 0.000 1.096 170 I HN 0.131 nan 8.210 nan 0.000 0.443 171 I N -2.126 118.259 120.570 -0.307 0.000 3.001 171 I HA -0.009 4.160 4.170 -0.000 0.000 0.268 171 I C 0.033 176.060 176.117 -0.149 0.000 1.267 171 I CA 0.914 62.034 61.300 -0.299 0.000 1.472 171 I CB -0.171 37.550 38.000 -0.466 0.000 1.089 171 I HN 0.083 nan 8.210 nan 0.000 0.468 172 D N 0.553 120.892 120.400 -0.101 0.000 2.826 172 D HA 0.204 4.844 4.640 -0.000 0.000 0.239 172 D C -2.193 174.100 176.300 -0.012 0.000 1.329 172 D CA -1.207 52.768 54.000 -0.041 0.000 0.854 172 D CB 1.225 42.013 40.800 -0.019 0.000 1.494 172 D HN -0.095 nan 8.370 nan 0.000 0.540 173 P HA -0.090 nan 4.420 nan 0.000 0.217 173 P C 1.336 178.668 177.300 0.054 0.000 1.150 173 P CA 0.963 64.067 63.100 0.007 0.000 0.832 173 P CB 0.403 32.096 31.700 -0.011 0.000 0.787 174 E N 0.165 120.389 120.200 0.040 0.000 2.150 174 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 174 E C 1.960 178.628 176.600 0.113 0.000 0.985 174 E CA 1.415 57.853 56.400 0.065 0.000 0.814 174 E CB -1.301 28.408 29.700 0.014 0.000 0.752 174 E HN 0.178 nan 8.360 nan 0.000 0.466 175 A N 2.144 125.019 122.820 0.091 0.000 1.898 175 A HA 0.066 4.386 4.320 -0.000 0.000 0.216 175 A C 2.546 180.231 177.584 0.168 0.000 1.181 175 A CA 2.041 54.147 52.037 0.114 0.000 0.620 175 A CB -0.720 18.332 19.000 0.087 0.000 0.819 175 A HN 0.333 nan 8.150 nan 0.000 0.442 176 A N -1.108 121.808 122.820 0.160 0.000 1.883 176 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 176 A C 2.157 179.900 177.584 0.266 0.000 1.186 176 A CA 1.864 54.038 52.037 0.229 0.000 0.624 176 A CB -1.083 17.986 19.000 0.115 0.000 0.822 176 A HN 0.719 nan 8.150 nan 0.000 0.444 177 H N 0.042 119.174 119.070 0.103 0.000 2.390 177 H HA -0.119 4.437 4.556 -0.000 0.000 0.298 177 H C 1.953 177.371 175.328 0.151 0.000 1.106 177 H CA 2.085 58.190 56.048 0.096 0.000 1.297 177 H CB -0.148 29.635 29.762 0.036 0.000 1.375 177 H HN 0.503 nan 8.280 nan 0.000 0.509 178 I N -0.243 120.473 120.570 0.244 0.000 2.202 178 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 178 I C 2.739 178.964 176.117 0.180 0.000 1.091 178 I CA 0.874 62.281 61.300 0.178 0.000 1.368 178 I CB -0.265 37.820 38.000 0.142 0.000 1.058 178 I HN 0.048 nan 8.210 nan 0.000 0.410 179 V N 0.556 120.640 119.914 0.283 0.000 2.295 179 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 179 V C 2.215 178.564 176.094 0.426 0.000 1.049 179 V CA 2.010 64.560 62.300 0.417 0.000 1.024 179 V CB -0.701 31.324 31.823 0.337 0.000 0.648 179 V HN 0.246 nan 8.190 nan 0.000 0.447 180 F N 0.644 120.700 119.950 0.176 0.000 2.451 180 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 180 F C 1.916 177.829 175.800 0.189 0.000 1.101 180 F CA 1.400 59.493 58.000 0.156 0.000 1.436 180 F CB -0.597 38.407 39.000 0.007 0.000 1.074 180 F HN 0.257 nan 8.300 nan 0.000 0.553 181 N N -1.261 117.566 118.700 0.211 0.000 2.236 181 N HA -0.012 4.728 4.740 -0.000 0.000 0.196 181 N C 0.310 175.787 175.510 -0.056 0.000 1.114 181 N CA -0.016 53.078 53.050 0.074 0.000 0.859 181 N CB 0.231 38.674 38.487 -0.073 0.000 0.982 181 N HN -0.050 nan 8.380 nan 0.000 0.493 182 E N 0.118 120.244 120.200 -0.123 0.000 2.371 182 E HA 0.058 4.408 4.350 -0.000 0.000 0.257 182 E C 0.806 177.095 176.600 -0.517 0.000 1.134 182 E CA 0.052 56.186 56.400 -0.444 0.000 0.919 182 E CB 0.873 29.983 29.700 -0.983 0.000 1.025 182 E HN 0.195 nan 8.360 nan 0.000 0.438 183 S N 0.255 115.654 115.700 -0.502 0.000 2.607 183 S HA -0.032 4.437 4.470 -0.000 0.000 0.224 183 S C 0.548 175.039 174.600 -0.182 0.000 0.969 183 S CA -0.286 57.651 58.200 -0.439 0.000 0.927 183 S CB -0.451 62.597 63.200 -0.253 0.000 0.772 183 S HN 0.428 nan 8.310 nan 0.000 0.533 184 W N 1.838 123.040 121.300 -0.163 0.000 2.079 184 W HA 0.513 5.173 4.660 -0.000 0.000 0.354 184 W C 0.046 176.596 176.519 0.053 0.000 1.302 184 W CA -1.832 55.482 57.345 -0.051 0.000 1.281 184 W CB -0.216 29.221 29.460 -0.039 0.000 1.165 184 W HN -0.055 nan 8.180 nan 0.000 0.603 185 Q N 0.943 120.908 119.800 0.275 0.000 2.296 185 Q HA 0.331 4.671 4.340 -0.000 0.000 0.262 185 Q C -0.728 175.258 176.000 -0.024 0.000 0.981 185 Q CA -0.306 55.586 55.803 0.149 0.000 0.905 185 Q CB 1.528 30.308 28.738 0.071 0.000 1.186 185 Q HN 0.421 nan 8.270 nan 0.000 0.399 186 V N 2.602 122.476 119.914 -0.067 0.000 2.487 186 V HA 0.345 4.465 4.120 -0.000 0.000 0.298 186 V C -0.086 175.852 176.094 -0.261 0.000 1.028 186 V CA -0.642 61.495 62.300 -0.271 0.000 0.860 186 V CB 2.128 33.704 31.823 -0.410 0.000 0.991 186 V HN 0.676 nan 8.190 nan 0.000 0.427 187 T N 6.245 120.629 114.554 -0.284 0.000 2.772 187 T HA 0.432 4.782 4.350 -0.000 0.000 0.288 187 T C -0.252 174.287 174.700 -0.267 0.000 0.994 187 T CA -0.176 61.746 62.100 -0.295 0.000 0.951 187 T CB 0.834 69.430 68.868 -0.455 0.000 0.933 187 T HN 0.643 nan 8.240 nan 0.000 0.447 188 M N 5.054 124.553 119.600 -0.167 0.000 2.063 188 M HA 0.377 4.857 4.480 -0.000 0.000 0.348 188 M C -0.985 175.280 176.300 -0.058 0.000 1.180 188 M CA -0.514 54.751 55.300 -0.058 0.000 1.059 188 M CB 0.289 32.961 32.600 0.120 0.000 1.544 188 M HN 0.249 nan 8.290 nan 0.000 0.447 189 V N 6.340 126.206 119.914 -0.081 0.000 2.221 189 V HA 0.360 4.480 4.120 -0.000 0.000 0.258 189 V C 0.924 176.999 176.094 -0.033 0.000 1.179 189 V CA -0.417 61.838 62.300 -0.076 0.000 1.022 189 V CB -0.301 31.461 31.823 -0.101 0.000 1.228 189 V HN 0.995 nan 8.190 nan 0.000 0.487 190 G N 2.095 110.885 108.800 -0.017 0.000 2.557 190 G HA2 0.434 4.394 3.960 -0.000 0.000 0.292 190 G HA3 0.434 4.394 3.960 -0.000 0.000 0.292 190 G C 0.880 175.719 174.900 -0.102 0.000 1.237 190 G CA -0.729 44.345 45.100 -0.043 0.000 0.978 190 G HN 0.532 nan 8.290 nan 0.000 0.498 191 L N -0.170 120.953 121.223 -0.166 0.000 2.187 191 L HA -0.115 4.225 4.340 -0.000 0.000 0.213 191 L C 2.354 179.051 176.870 -0.289 0.000 1.100 191 L CA 1.105 55.749 54.840 -0.327 0.000 0.765 191 L CB -0.299 41.524 42.059 -0.393 0.000 0.904 191 L HN 0.535 nan 8.230 nan 0.000 0.437 192 D N 0.178 120.437 120.400 -0.236 0.000 2.123 192 D HA -0.230 4.410 4.640 -0.000 0.000 0.196 192 D C 2.130 178.386 176.300 -0.073 0.000 0.992 192 D CA 1.500 55.372 54.000 -0.213 0.000 0.833 192 D CB 0.074 40.555 40.800 -0.531 0.000 0.954 192 D HN 0.336 nan 8.370 nan 0.000 0.455 193 L N 0.781 121.964 121.223 -0.067 0.000 2.121 193 L HA -0.094 4.246 4.340 -0.000 0.000 0.200 193 L C 2.656 179.492 176.870 -0.056 0.000 1.077 193 L CA 1.573 56.392 54.840 -0.035 0.000 0.766 193 L CB -0.631 41.404 42.059 -0.038 0.000 0.931 193 L HN 0.011 nan 8.230 nan 0.000 0.452 194 T N -4.068 110.442 114.554 -0.073 0.000 2.946 194 T HA -0.269 4.081 4.350 -0.000 0.000 0.271 194 T C 1.522 176.201 174.700 -0.035 0.000 1.104 194 T CA 1.689 63.744 62.100 -0.074 0.000 1.114 194 T CB -1.034 67.887 68.868 0.087 0.000 0.867 194 T HN 0.570 nan 8.240 nan 0.000 0.513 195 H N 0.436 119.514 119.070 0.014 0.000 2.559 195 H HA 0.137 4.693 4.556 -0.000 0.000 0.273 195 H C 2.301 177.628 175.328 -0.002 0.000 1.000 195 H CA 0.487 56.541 56.048 0.010 0.000 1.195 195 H CB 0.144 29.939 29.762 0.056 0.000 1.368 195 H HN 0.520 nan 8.280 nan 0.000 0.592 196 Q N -0.065 119.797 119.800 0.104 0.000 2.376 196 Q HA 0.159 4.499 4.340 -0.000 0.000 0.206 196 Q C 1.041 177.149 176.000 0.181 0.000 0.921 196 Q CA 0.177 56.052 55.803 0.121 0.000 0.911 196 Q CB 0.767 29.561 28.738 0.093 0.000 1.032 196 Q HN 0.271 nan 8.270 nan 0.000 0.510 197 A N 1.526 124.345 122.820 -0.001 0.000 3.077 197 A HA 0.232 4.552 4.320 -0.000 0.000 0.255 197 A C -0.241 177.471 177.584 0.214 0.000 1.728 197 A CA -0.098 51.892 52.037 -0.079 0.000 1.383 197 A CB -0.818 17.859 19.000 -0.539 0.000 1.097 197 A HN 0.221 nan 8.150 nan 0.000 0.634 198 L N 0.953 122.454 121.223 0.463 0.000 2.349 198 L HA 0.394 4.734 4.340 -0.000 0.000 0.275 198 L C 0.859 178.038 176.870 0.514 0.000 1.115 198 L CA -0.341 54.730 54.840 0.386 0.000 0.820 198 L CB 1.317 43.545 42.059 0.281 0.000 1.135 198 L HN 0.487 nan 8.230 nan 0.000 0.445 199 A N 2.541 125.527 122.820 0.277 0.000 2.798 199 A HA 0.454 4.774 4.320 -0.000 0.000 0.316 199 A C 0.464 178.022 177.584 -0.044 0.000 1.506 199 A CA -0.544 51.528 52.037 0.059 0.000 1.162 199 A CB -0.418 18.640 19.000 0.096 0.000 1.138 199 A HN 0.742 nan 8.150 nan 0.000 0.532 200 T N 0.123 114.649 114.554 -0.047 0.000 2.874 200 T HA 0.431 4.781 4.350 -0.000 0.000 0.281 200 T C -1.758 172.883 174.700 -0.098 0.000 0.994 200 T CA -1.587 60.492 62.100 -0.035 0.000 1.015 200 T CB 0.835 69.719 68.868 0.027 0.000 1.028 200 T HN 0.168 nan 8.240 nan 0.000 0.523 201 P HA -0.091 nan 4.420 nan 0.000 0.217 201 P C -1.490 175.757 177.300 -0.088 0.000 1.158 201 P CA 1.498 64.556 63.100 -0.071 0.000 0.887 201 P CB -1.141 30.531 31.700 -0.046 0.000 0.792 202 P HA -0.153 nan 4.420 nan 0.000 0.215 202 P C 1.502 178.718 177.300 -0.140 0.000 1.153 202 P CA 1.265 64.318 63.100 -0.079 0.000 0.853 202 P CB -0.529 31.145 31.700 -0.043 0.000 0.788 203 I N -1.269 119.159 120.570 -0.238 0.000 2.179 203 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 203 I C 2.328 178.236 176.117 -0.347 0.000 1.088 203 I CA 1.512 62.547 61.300 -0.441 0.000 1.357 203 I CB -1.588 35.852 38.000 -0.934 0.000 1.051 203 I HN -0.014 nan 8.210 nan 0.000 0.409 204 L N 0.040 121.103 121.223 -0.266 0.000 2.131 204 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 204 L C 2.614 179.414 176.870 -0.117 0.000 1.092 204 L CA 1.168 55.904 54.840 -0.173 0.000 0.759 204 L CB -0.571 41.416 42.059 -0.119 0.000 0.903 204 L HN 0.291 nan 8.230 nan 0.000 0.435 205 Q N 0.737 120.474 119.800 -0.105 0.000 2.046 205 Q HA -0.193 4.147 4.340 -0.000 0.000 0.200 205 Q C 2.224 178.183 176.000 -0.068 0.000 0.975 205 Q CA 1.625 57.386 55.803 -0.071 0.000 0.836 205 Q CB -0.095 28.608 28.738 -0.059 0.000 0.896 205 Q HN 0.196 nan 8.270 nan 0.000 0.428 206 R N -0.977 119.470 120.500 -0.088 0.000 2.127 206 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 206 R C 2.154 178.417 176.300 -0.063 0.000 1.134 206 R CA 1.298 57.355 56.100 -0.072 0.000 0.975 206 R CB -0.231 30.017 30.300 -0.087 0.000 0.865 206 R HN 0.172 nan 8.270 nan 0.000 0.447 207 V N 0.740 120.605 119.914 -0.081 0.000 2.323 207 V HA -0.227 3.893 4.120 -0.000 0.000 0.244 207 V C 2.268 178.344 176.094 -0.030 0.000 1.041 207 V CA 1.659 63.928 62.300 -0.052 0.000 1.025 207 V CB -0.401 31.384 31.823 -0.063 0.000 0.656 207 V HN 0.318 nan 8.190 nan 0.000 0.451 208 K N 0.280 120.660 120.400 -0.035 0.000 2.152 208 K HA -0.246 4.074 4.320 -0.000 0.000 0.206 208 K C 1.935 178.526 176.600 -0.014 0.000 1.048 208 K CA 1.910 58.185 56.287 -0.020 0.000 0.933 208 K CB -0.130 32.356 32.500 -0.023 0.000 0.721 208 K HN 0.557 nan 8.250 nan 0.000 0.447 209 E N 0.043 120.232 120.200 -0.019 0.000 2.338 209 E HA -0.102 4.247 4.350 -0.000 0.000 0.197 209 E C 1.645 178.240 176.600 -0.008 0.000 1.007 209 E CA 0.657 57.049 56.400 -0.014 0.000 0.849 209 E CB 0.236 29.926 29.700 -0.017 0.000 0.774 209 E HN 0.135 nan 8.360 nan 0.000 0.506 210 V N 0.926 120.836 119.914 -0.006 0.000 2.759 210 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 210 V C 0.660 176.757 176.094 0.005 0.000 1.080 210 V CA 1.066 63.365 62.300 -0.001 0.000 1.101 210 V CB -0.707 31.119 31.823 0.004 0.000 0.698 210 V HN 0.347 nan 8.190 nan 0.000 0.477 211 D N 1.474 121.878 120.400 0.006 0.000 2.740 211 D HA -0.160 4.480 4.640 -0.000 0.000 0.231 211 D C 0.314 176.622 176.300 0.014 0.000 1.194 211 D CA 1.090 55.096 54.000 0.009 0.000 0.673 211 D CB -0.657 40.145 40.800 0.005 0.000 0.995 211 D HN 0.782 nan 8.370 nan 0.000 0.411 212 T N -2.932 111.635 114.554 0.022 0.000 2.907 212 T HA 0.458 4.808 4.350 -0.000 0.000 0.290 212 T C 0.991 175.715 174.700 0.040 0.000 1.066 212 T CA -0.546 61.569 62.100 0.026 0.000 1.012 212 T CB 1.584 70.467 68.868 0.026 0.000 1.184 212 T HN -0.059 nan 8.240 nan 0.000 0.522 213 N N 0.967 119.690 118.700 0.038 0.000 2.084 213 N HA 0.055 4.795 4.740 -0.000 0.000 0.190 213 N C -1.174 174.391 175.510 0.092 0.000 1.030 213 N CA 1.133 54.213 53.050 0.050 0.000 0.849 213 N CB -1.237 37.264 38.487 0.024 0.000 1.012 213 N HN 0.474 nan 8.380 nan 0.000 0.423 214 P HA -0.076 nan 4.420 nan 0.000 0.216 214 P C 0.807 178.223 177.300 0.194 0.000 1.150 214 P CA 1.641 64.831 63.100 0.151 0.000 0.837 214 P CB -0.153 31.612 31.700 0.108 0.000 0.786 215 A N -0.217 122.671 122.820 0.114 0.000 1.898 215 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 215 A C 2.237 179.866 177.584 0.075 0.000 1.181 215 A CA 1.421 53.506 52.037 0.080 0.000 0.620 215 A CB -1.003 18.024 19.000 0.046 0.000 0.819 215 A HN 0.068 nan 8.150 nan 0.000 0.442 216 R N -1.967 118.584 120.500 0.086 0.000 2.115 216 R HA -0.073 4.267 4.340 -0.000 0.000 0.230 216 R C 1.948 178.309 176.300 0.103 0.000 1.111 216 R CA 1.379 57.523 56.100 0.073 0.000 0.976 216 R CB -0.428 29.912 30.300 0.066 0.000 0.870 216 R HN 0.615 nan 8.270 nan 0.000 0.445 217 F N 1.557 121.509 119.950 0.003 0.000 2.075 217 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 217 F C 2.302 178.109 175.800 0.011 0.000 1.113 217 F CA 1.648 59.647 58.000 -0.002 0.000 1.218 217 F CB -0.416 38.580 39.000 -0.007 0.000 0.984 217 F HN -0.140 nan 8.300 nan 0.000 0.472 218 M N -0.385 119.117 119.600 -0.162 0.000 2.149 218 M HA -0.192 4.287 4.480 -0.000 0.000 0.261 218 M C 2.051 178.255 176.300 -0.161 0.000 1.064 218 M CA 1.750 56.906 55.300 -0.240 0.000 1.102 218 M CB -0.398 32.186 32.600 -0.027 0.000 1.369 218 M HN 0.369 nan 8.290 nan 0.000 0.408 219 L N 0.757 121.934 121.223 -0.076 0.000 2.046 219 L HA -0.194 4.145 4.340 -0.000 0.000 0.208 219 L C 2.308 179.148 176.870 -0.051 0.000 1.077 219 L CA 2.084 56.898 54.840 -0.044 0.000 0.747 219 L CB -0.724 41.325 42.059 -0.017 0.000 0.896 219 L HN 0.458 nan 8.230 nan 0.000 0.432 220 E N -0.235 119.917 120.200 -0.080 0.000 2.031 220 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 220 E C 2.261 178.817 176.600 -0.073 0.000 0.994 220 E CA 1.844 58.208 56.400 -0.060 0.000 0.800 220 E CB -0.232 29.440 29.700 -0.046 0.000 0.752 220 E HN 0.682 nan 8.360 nan 0.000 0.447 221 I N -1.526 118.912 120.570 -0.219 0.000 2.315 221 I HA -0.181 3.988 4.170 -0.000 0.000 0.248 221 I C 2.179 178.315 176.117 0.032 0.000 1.117 221 I CA 0.752 61.960 61.300 -0.153 0.000 1.404 221 I CB -0.331 37.444 38.000 -0.376 0.000 1.071 221 I HN 0.076 nan 8.210 nan 0.000 0.419 222 M N 1.340 120.943 119.600 0.005 0.000 2.279 222 M HA -0.187 4.293 4.480 -0.000 0.000 0.264 222 M C 1.738 178.117 176.300 0.132 0.000 1.062 222 M CA 1.717 57.087 55.300 0.116 0.000 1.099 222 M CB -1.444 31.196 32.600 0.067 0.000 1.394 222 M HN 0.433 nan 8.290 nan 0.000 0.426 223 D N -0.853 119.601 120.400 0.089 0.000 2.084 223 D HA -0.211 4.429 4.640 -0.000 0.000 0.196 223 D C 1.987 178.364 176.300 0.129 0.000 0.985 223 D CA 1.135 55.184 54.000 0.082 0.000 0.826 223 D CB -0.140 40.697 40.800 0.061 0.000 0.978 223 D HN 0.333 nan 8.370 nan 0.000 0.456 224 Y N -0.449 119.878 120.300 0.045 0.000 2.128 224 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 224 Y C 2.040 178.015 175.900 0.124 0.000 1.154 224 Y CA 1.760 59.898 58.100 0.063 0.000 1.149 224 Y CB -0.551 37.939 38.460 0.050 0.000 0.976 224 Y HN 0.112 nan 8.280 nan 0.000 0.505 225 Y N 0.905 121.276 120.300 0.118 0.000 2.165 225 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 225 Y C 2.521 178.438 175.900 0.029 0.000 1.155 225 Y CA 2.124 60.265 58.100 0.067 0.000 1.164 225 Y CB -0.973 37.547 38.460 0.100 0.000 0.978 225 Y HN 0.157 nan 8.280 nan 0.000 0.513 226 T N -0.018 114.553 114.554 0.028 0.000 2.746 226 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 226 T C 1.826 176.476 174.700 -0.082 0.000 1.039 226 T CA 1.660 63.720 62.100 -0.066 0.000 1.142 226 T CB -0.092 68.757 68.868 -0.031 0.000 0.866 226 T HN 0.041 nan 8.240 nan 0.000 0.444 227 K N 0.852 121.191 120.400 -0.102 0.000 2.057 227 K HA 0.072 4.392 4.320 -0.000 0.000 0.207 227 K C 1.946 178.423 176.600 -0.206 0.000 1.049 227 K CA 0.770 56.969 56.287 -0.146 0.000 0.931 227 K CB -0.674 31.727 32.500 -0.166 0.000 0.714 227 K HN 0.209 nan 8.250 nan 0.000 0.440 228 I N -0.563 119.853 120.570 -0.258 0.000 2.163 228 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 228 I C 1.808 177.756 176.117 -0.283 0.000 1.081 228 I CA 1.342 62.473 61.300 -0.281 0.000 1.353 228 I CB -0.431 37.401 38.000 -0.281 0.000 1.054 228 I HN 0.123 nan 8.210 nan 0.000 0.407 229 Y N 0.785 120.890 120.300 -0.325 0.000 2.207 229 Y HA -0.304 4.246 4.550 -0.000 0.000 0.287 229 Y C 2.660 178.377 175.900 -0.306 0.000 1.156 229 Y CA 1.800 59.711 58.100 -0.315 0.000 1.182 229 Y CB -0.392 37.853 38.460 -0.357 0.000 0.979 229 Y HN 0.287 nan 8.280 nan 0.000 0.521 230 Q N -1.088 118.635 119.800 -0.129 0.000 2.167 230 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 230 Q C 2.066 177.838 176.000 -0.379 0.000 0.970 230 Q CA 1.570 57.283 55.803 -0.149 0.000 0.855 230 Q CB -0.032 28.660 28.738 -0.076 0.000 0.911 230 Q HN 0.383 nan 8.270 nan 0.000 0.438 231 S N 0.456 115.892 115.700 -0.440 0.000 2.356 231 S HA -0.020 4.450 4.470 -0.000 0.000 0.179 231 S C 1.342 175.394 174.600 -0.913 0.000 0.940 231 S CA 0.205 58.056 58.200 -0.581 0.000 0.955 231 S CB -0.439 62.580 63.200 -0.302 0.000 0.861 231 S HN 0.276 nan 8.310 nan 0.000 0.527 232 N N 2.262 120.642 118.700 -0.532 0.000 2.081 232 N HA -0.177 4.563 4.740 -0.000 0.000 0.193 232 N C 0.520 175.764 175.510 -0.443 0.000 1.015 232 N CA 1.402 54.200 53.050 -0.420 0.000 0.891 232 N CB -0.402 37.889 38.487 -0.326 0.000 1.076 232 N HN 0.389 nan 8.380 nan 0.000 0.607 233 R N 0.409 120.626 120.500 -0.472 0.000 3.256 233 R HA 0.194 4.534 4.340 -0.000 0.000 0.263 233 R C -0.731 175.407 176.300 -0.271 0.000 1.388 233 R CA -0.476 55.421 56.100 -0.337 0.000 1.580 233 R CB -0.423 29.634 30.300 -0.404 0.000 1.255 233 R HN 0.289 nan 8.270 nan 0.000 0.640 234 Y N 2.409 122.637 120.300 -0.120 0.000 3.001 234 Y HA -0.237 4.313 4.550 -0.000 0.000 0.374 234 Y C 0.902 176.791 175.900 -0.019 0.000 1.222 234 Y CA 1.166 59.230 58.100 -0.061 0.000 1.605 234 Y CB 0.020 38.447 38.460 -0.053 0.000 1.091 234 Y HN 0.374 nan 8.280 nan 0.000 0.570 235 M N 0.973 120.663 119.600 0.151 0.000 2.523 235 M HA 0.288 4.768 4.480 -0.000 0.000 0.287 235 M C 0.396 176.739 176.300 0.072 0.000 1.160 235 M CA -0.427 54.935 55.300 0.104 0.000 0.902 235 M CB 1.909 34.588 32.600 0.132 0.000 1.752 235 M HN 0.512 nan 8.290 nan 0.000 0.504 236 A N 0.968 123.810 122.820 0.036 0.000 1.972 236 A HA 0.438 4.758 4.320 -0.000 0.000 0.219 236 A C 0.794 178.375 177.584 -0.006 0.000 1.169 236 A CA 1.993 54.041 52.037 0.017 0.000 0.635 236 A CB -0.105 18.897 19.000 0.004 0.000 0.810 236 A HN 0.871 nan 8.150 nan 0.000 0.446 237 A N -2.126 120.678 122.820 -0.026 0.000 2.530 237 A HA 0.762 5.082 4.320 -0.000 0.000 0.288 237 A C -0.099 177.379 177.584 -0.176 0.000 1.172 237 A CA -0.121 51.877 52.037 -0.065 0.000 0.733 237 A CB 0.507 19.488 19.000 -0.031 0.000 1.320 237 A HN 1.282 nan 8.150 nan 0.000 0.419 238 A N -0.185 122.458 122.820 -0.294 0.000 2.316 238 A HA 0.694 5.014 4.320 -0.000 0.000 0.284 238 A C 0.355 177.556 177.584 -0.639 0.000 1.115 238 A CA 0.198 51.770 52.037 -0.774 0.000 0.812 238 A CB 0.316 18.802 19.000 -0.857 0.000 1.064 238 A HN 2.225 nan 8.150 nan 0.000 0.489 239 A N 1.314 123.527 122.820 -1.011 0.000 2.274 239 A HA 0.529 4.849 4.320 -0.000 0.000 0.309 239 A C 0.074 177.377 177.584 -0.469 0.000 1.226 239 A CA -0.113 51.591 52.037 -0.556 0.000 0.853 239 A CB 0.339 19.057 19.000 -0.471 0.000 1.146 239 A HN 2.057 nan 8.150 nan 0.000 0.518 240 V N 3.098 122.930 119.914 -0.136 0.000 2.270 240 V HA 0.338 4.458 4.120 -0.000 0.000 0.263 240 V C 0.721 176.763 176.094 -0.087 0.000 1.066 240 V CA -0.123 62.215 62.300 0.063 0.000 0.857 240 V CB -1.167 30.809 31.823 0.254 0.000 1.099 240 V HN 0.935 nan 8.190 nan 0.000 0.476 241 H N 2.093 121.220 119.070 0.096 0.000 2.267 241 H HA -0.075 4.480 4.556 -0.000 0.000 0.297 241 H C 1.721 177.042 175.328 -0.012 0.000 1.080 241 H CA 2.491 58.547 56.048 0.013 0.000 1.278 241 H CB -0.191 29.604 29.762 0.054 0.000 1.365 241 H HN 0.583 nan 8.280 nan 0.000 0.489 242 D N 0.428 120.932 120.400 0.172 0.000 2.133 242 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 242 D C -0.567 175.773 176.300 0.067 0.000 0.997 242 D CA 1.340 55.396 54.000 0.094 0.000 0.840 242 D CB -1.639 39.208 40.800 0.078 0.000 0.947 242 D HN 0.377 nan 8.370 nan 0.000 0.452 243 P HA -0.078 nan 4.420 nan 0.000 0.218 243 P C 1.327 178.724 177.300 0.163 0.000 1.148 243 P CA 0.840 64.014 63.100 0.124 0.000 0.822 243 P CB -0.062 31.739 31.700 0.169 0.000 0.784 244 C N -0.730 118.592 119.300 0.036 0.000 2.411 244 C HA -0.085 4.375 4.460 -0.000 0.000 0.279 244 C C 2.860 177.857 174.990 0.012 0.000 1.288 244 C CA 1.188 60.151 59.018 -0.093 0.000 1.764 244 C CB -1.888 25.678 27.740 -0.291 0.000 1.974 244 C HN 0.245 nan 8.230 nan 0.000 0.498 245 A N 0.174 123.006 122.820 0.021 0.000 1.968 245 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 245 A C 2.238 179.866 177.584 0.073 0.000 1.169 245 A CA 1.816 53.869 52.037 0.027 0.000 0.638 245 A CB -0.470 18.529 19.000 -0.001 0.000 0.812 245 A HN 0.390 nan 8.150 nan 0.000 0.446 246 V N -0.261 119.694 119.914 0.069 0.000 2.488 246 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 246 V C 2.998 179.138 176.094 0.076 0.000 1.046 246 V CA 1.530 63.867 62.300 0.062 0.000 1.053 246 V CB -1.176 30.673 31.823 0.042 0.000 0.679 246 V HN 0.568 nan 8.190 nan 0.000 0.458 247 A N -0.400 122.485 122.820 0.108 0.000 1.908 247 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 247 A C 2.178 179.820 177.584 0.096 0.000 1.181 247 A CA 2.226 54.330 52.037 0.111 0.000 0.627 247 A CB -0.872 18.267 19.000 0.232 0.000 0.818 247 A HN 0.660 nan 8.150 nan 0.000 0.445 248 Y N 0.437 120.742 120.300 0.007 0.000 2.274 248 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 248 Y C 2.187 178.078 175.900 -0.014 0.000 1.145 248 Y CA 1.809 59.904 58.100 -0.008 0.000 1.203 248 Y CB -0.100 38.346 38.460 -0.023 0.000 0.984 248 Y HN 0.080 nan 8.280 nan 0.000 0.533 249 V N 0.154 120.099 119.914 0.052 0.000 2.453 249 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 249 V C 2.275 178.314 176.094 -0.092 0.000 1.048 249 V CA 1.889 64.171 62.300 -0.029 0.000 1.049 249 V CB -0.498 31.344 31.823 0.031 0.000 0.672 249 V HN 0.413 nan 8.190 nan 0.000 0.457 250 I N -0.021 120.514 120.570 -0.059 0.000 2.113 250 I HA -0.120 4.050 4.170 -0.000 0.000 0.238 250 I C 0.889 176.950 176.117 -0.093 0.000 1.070 250 I CA 1.597 62.861 61.300 -0.060 0.000 1.332 250 I CB 0.077 38.055 38.000 -0.037 0.000 1.044 250 I HN 0.329 nan 8.210 nan 0.000 0.402 251 D N -0.677 119.656 120.400 -0.112 0.000 2.386 251 D HA 0.211 4.851 4.640 -0.000 0.000 0.247 251 D C -2.097 174.085 176.300 -0.198 0.000 1.336 251 D CA -2.065 51.859 54.000 -0.127 0.000 0.976 251 D CB 1.648 42.409 40.800 -0.064 0.000 1.257 251 D HN -0.198 nan 8.370 nan 0.000 0.570 252 P HA -0.114 nan 4.420 nan 0.000 0.221 252 P C 1.097 178.307 177.300 -0.151 0.000 1.145 252 P CA 0.918 63.721 63.100 -0.495 0.000 0.795 252 P CB 0.207 31.608 31.700 -0.499 0.000 0.775 253 S N -1.484 114.165 115.700 -0.084 0.000 2.607 253 S HA -0.053 4.417 4.470 -0.000 0.000 0.224 253 S C 1.638 176.252 174.600 0.024 0.000 0.969 253 S CA 0.646 58.839 58.200 -0.013 0.000 0.927 253 S CB -1.507 61.686 63.200 -0.011 0.000 0.772 253 S HN 0.132 nan 8.310 nan 0.000 0.533 254 V N -0.575 119.357 119.914 0.030 0.000 3.141 254 V HA 0.283 4.403 4.120 -0.000 0.000 0.265 254 V C 0.716 176.859 176.094 0.081 0.000 1.126 254 V CA 0.720 63.061 62.300 0.067 0.000 1.141 254 V CB -1.517 30.360 31.823 0.091 0.000 0.743 254 V HN 0.819 nan 8.190 nan 0.000 0.492 255 M N -0.181 119.481 119.600 0.103 0.000 2.520 255 M HA 0.649 5.129 4.480 -0.000 0.000 0.280 255 M C -0.598 175.772 176.300 0.116 0.000 1.232 255 M CA -0.407 54.955 55.300 0.104 0.000 0.892 255 M CB 2.020 34.681 32.600 0.103 0.000 1.728 255 M HN 0.053 nan 8.290 nan 0.000 0.475 256 T N -0.120 114.487 114.554 0.088 0.000 2.922 256 T HA 0.793 5.143 4.350 -0.000 0.000 0.285 256 T C 0.061 174.809 174.700 0.080 0.000 1.005 256 T CA -0.174 61.974 62.100 0.081 0.000 1.061 256 T CB 1.346 70.251 68.868 0.061 0.000 1.007 256 T HN 0.908 nan 8.240 nan 0.000 0.502 257 T N -0.526 114.071 114.554 0.073 0.000 2.903 257 T HA 0.632 4.982 4.350 -0.000 0.000 0.299 257 T C -1.202 173.519 174.700 0.035 0.000 1.093 257 T CA -1.005 61.124 62.100 0.048 0.000 1.002 257 T CB 2.162 71.052 68.868 0.036 0.000 1.127 257 T HN 0.650 nan 8.240 nan 0.000 0.488 258 E N 0.905 121.118 120.200 0.022 0.000 2.222 258 E HA 0.347 4.697 4.350 -0.000 0.000 0.267 258 E C -0.878 175.712 176.600 -0.017 0.000 0.884 258 E CA -0.812 55.600 56.400 0.020 0.000 0.764 258 E CB 2.871 32.607 29.700 0.061 0.000 1.169 258 E HN 0.608 nan 8.360 nan 0.000 0.413 259 R N 2.365 122.851 120.500 -0.023 0.000 2.205 259 R HA 0.317 4.657 4.340 -0.000 0.000 0.342 259 R C -0.580 175.671 176.300 -0.081 0.000 1.058 259 R CA -0.294 55.774 56.100 -0.053 0.000 0.904 259 R CB 0.098 30.375 30.300 -0.038 0.000 1.089 259 R HN 0.321 nan 8.270 nan 0.000 0.471 260 V N 1.780 121.606 119.914 -0.145 0.000 3.114 260 V HA 0.684 4.804 4.120 -0.000 0.000 0.308 260 V C -2.824 173.141 176.094 -0.214 0.000 1.168 260 V CA -2.982 59.188 62.300 -0.218 0.000 1.015 260 V CB 2.111 33.666 31.823 -0.447 0.000 1.050 260 V HN 0.586 nan 8.190 nan 0.000 0.433 261 P HA 0.490 nan 4.420 nan 0.000 0.276 261 P C -1.003 176.201 177.300 -0.161 0.000 1.230 261 P CA -0.040 62.974 63.100 -0.142 0.000 0.776 261 P CB 1.144 32.787 31.700 -0.095 0.000 0.888 262 V N 3.458 123.316 119.914 -0.094 0.000 2.623 262 V HA 0.474 4.594 4.120 -0.000 0.000 0.304 262 V C -0.398 175.663 176.094 -0.056 0.000 1.054 262 V CA -0.340 61.918 62.300 -0.070 0.000 0.882 262 V CB 2.278 34.124 31.823 0.038 0.000 1.002 262 V HN 0.473 nan 8.190 nan 0.000 0.424 263 D N 2.480 122.800 120.400 -0.134 0.000 2.531 263 D HA 0.588 5.228 4.640 -0.000 0.000 0.244 263 D C -1.338 174.832 176.300 -0.216 0.000 1.090 263 D CA -0.460 53.451 54.000 -0.149 0.000 0.989 263 D CB 2.296 43.061 40.800 -0.058 0.000 1.433 263 D HN 0.251 nan 8.370 nan 0.000 0.492 264 I N 1.627 122.104 120.570 -0.154 0.000 2.404 264 I HA 0.231 4.401 4.170 -0.000 0.000 0.293 264 I C 0.121 176.266 176.117 0.046 0.000 0.992 264 I CA -0.739 60.501 61.300 -0.101 0.000 1.149 264 I CB 1.215 39.167 38.000 -0.080 0.000 1.315 264 I HN 0.353 nan 8.210 nan 0.000 0.446 265 E N 5.713 125.911 120.200 -0.004 0.000 2.180 265 E HA 0.274 4.624 4.350 -0.000 0.000 0.283 265 E C -0.026 176.576 176.600 0.003 0.000 1.061 265 E CA 0.104 56.509 56.400 0.009 0.000 0.861 265 E CB 0.804 30.502 29.700 -0.004 0.000 1.056 265 E HN 0.567 nan 8.360 nan 0.000 0.407 266 L N 2.904 124.124 121.223 -0.005 0.000 2.515 266 L HA 0.095 4.434 4.340 -0.000 0.000 0.223 266 L C 1.604 178.456 176.870 -0.030 0.000 1.079 266 L CA 1.001 55.823 54.840 -0.030 0.000 0.857 266 L CB 0.132 42.143 42.059 -0.080 0.000 1.050 266 L HN 0.662 nan 8.230 nan 0.000 0.476 267 T N -3.935 110.605 114.554 -0.023 0.000 2.985 267 T HA 0.183 4.533 4.350 -0.000 0.000 0.254 267 T C 1.095 175.789 174.700 -0.011 0.000 1.021 267 T CA 0.185 62.273 62.100 -0.019 0.000 0.957 267 T CB 0.056 68.912 68.868 -0.020 0.000 1.047 267 T HN 0.108 nan 8.240 nan 0.000 0.511 268 G N 1.216 110.012 108.800 -0.007 0.000 2.484 268 G HA2 0.232 4.192 3.960 -0.000 0.000 0.235 268 G HA3 0.232 4.192 3.960 -0.000 0.000 0.235 268 G C 0.642 175.541 174.900 -0.001 0.000 1.282 268 G CA -0.394 44.705 45.100 -0.002 0.000 0.857 268 G HN 0.326 nan 8.290 nan 0.000 0.571 269 K N 1.195 121.596 120.400 0.001 0.000 2.098 269 K HA 0.104 4.424 4.320 -0.000 0.000 0.203 269 K C 2.055 178.658 176.600 0.005 0.000 1.051 269 K CA 0.559 56.847 56.287 0.002 0.000 0.957 269 K CB -0.091 32.411 32.500 0.003 0.000 0.738 269 K HN 0.531 nan 8.250 nan 0.000 0.447 270 L N 0.183 121.410 121.223 0.007 0.000 2.408 270 L HA 0.034 4.374 4.340 -0.000 0.000 0.215 270 L C 1.679 178.556 176.870 0.012 0.000 1.081 270 L CA 0.895 55.741 54.840 0.011 0.000 0.840 270 L CB 0.195 42.262 42.059 0.012 0.000 1.002 270 L HN 0.189 nan 8.230 nan 0.000 0.468 271 T N -2.121 112.439 114.554 0.010 0.000 3.186 271 T HA 0.200 4.550 4.350 -0.000 0.000 0.257 271 T C 0.327 175.028 174.700 0.002 0.000 1.029 271 T CA -0.373 61.733 62.100 0.010 0.000 0.916 271 T CB -0.252 68.624 68.868 0.013 0.000 1.041 271 T HN -0.033 nan 8.240 nan 0.000 0.562 272 L N 2.433 123.656 121.223 -0.001 0.000 2.559 272 L HA 0.461 4.801 4.340 -0.000 0.000 0.274 272 L C 1.283 178.144 176.870 -0.015 0.000 1.205 272 L CA 1.819 56.653 54.840 -0.009 0.000 0.907 272 L CB -0.433 41.619 42.059 -0.011 0.000 1.153 272 L HN 0.569 nan 8.230 nan 0.000 0.490 273 G N 3.470 112.256 108.800 -0.024 0.000 2.176 273 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.253 273 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.253 273 G C 0.387 175.260 174.900 -0.046 0.000 0.979 273 G CA 0.289 45.367 45.100 -0.037 0.000 0.641 273 G HN 0.780 nan 8.290 nan 0.000 0.530 274 M N 2.619 122.199 119.600 -0.034 0.000 2.233 274 M HA 0.476 4.956 4.480 -0.000 0.000 0.350 274 M C 0.939 177.191 176.300 -0.080 0.000 1.176 274 M CA 0.615 55.895 55.300 -0.032 0.000 1.150 274 M CB 0.555 33.153 32.600 -0.002 0.000 1.530 274 M HN 0.382 nan 8.290 nan 0.000 0.459 275 T N 2.706 117.204 114.554 -0.094 0.000 2.747 275 T HA 0.450 4.800 4.350 -0.000 0.000 0.301 275 T C -0.297 174.356 174.700 -0.079 0.000 0.952 275 T CA -0.961 61.035 62.100 -0.175 0.000 0.983 275 T CB -0.179 68.582 68.868 -0.179 0.000 0.930 275 T HN 0.431 nan 8.240 nan 0.000 0.494 276 V N 3.223 123.084 119.914 -0.087 0.000 2.408 276 V HA 0.611 4.731 4.120 -0.000 0.000 0.267 276 V C 0.663 176.705 176.094 -0.086 0.000 1.047 276 V CA -0.754 61.523 62.300 -0.039 0.000 0.937 276 V CB 0.197 32.003 31.823 -0.028 0.000 0.999 276 V HN 1.139 nan 8.190 nan 0.000 0.472 277 A N 3.571 126.329 122.820 -0.103 0.000 2.317 277 A HA 0.630 4.950 4.320 -0.000 0.000 0.327 277 A C -0.383 176.995 177.584 -0.345 0.000 1.178 277 A CA -0.522 51.322 52.037 -0.322 0.000 0.817 277 A CB 1.001 19.652 19.000 -0.582 0.000 1.189 277 A HN 0.729 nan 8.150 nan 0.000 0.489 278 D N 2.207 122.389 120.400 -0.363 0.000 2.485 278 D HA 0.386 5.026 4.640 -0.000 0.000 0.221 278 D C -0.391 175.767 176.300 -0.237 0.000 1.112 278 D CA -0.280 53.596 54.000 -0.205 0.000 0.911 278 D CB -0.159 40.576 40.800 -0.108 0.000 1.019 278 D HN 0.316 nan 8.370 nan 0.000 0.516 279 F N 1.463 121.392 119.950 -0.035 0.000 2.811 279 F HA 0.211 4.738 4.527 -0.000 0.000 0.301 279 F C 1.221 177.011 175.800 -0.017 0.000 1.151 279 F CA -0.168 57.803 58.000 -0.049 0.000 1.412 279 F CB -0.069 38.896 39.000 -0.057 0.000 1.113 279 F HN -0.018 nan 8.300 nan 0.000 0.579 280 R N 1.768 122.352 120.500 0.140 0.000 2.522 280 R HA 0.026 4.366 4.340 -0.000 0.000 0.284 280 R C -0.207 176.134 176.300 0.069 0.000 1.032 280 R CA -0.004 56.152 56.100 0.093 0.000 1.049 280 R CB -0.195 30.142 30.300 0.062 0.000 0.956 280 R HN 0.165 nan 8.270 nan 0.000 0.422 281 N N 3.774 122.511 118.700 0.061 0.000 2.426 281 N HA 0.590 5.330 4.740 -0.000 0.000 0.275 281 N C -2.448 173.082 175.510 0.033 0.000 1.019 281 N CA -1.324 51.754 53.050 0.046 0.000 0.941 281 N CB 1.230 39.743 38.487 0.044 0.000 1.123 281 N HN 0.410 nan 8.380 nan 0.000 0.486 282 P HA 0.029 nan 4.420 nan 0.000 0.533 282 P C -1.417 175.898 177.300 0.025 0.000 0.783 282 P CA -0.460 62.655 63.100 0.025 0.000 1.672 282 P CB 0.101 31.815 31.700 0.023 0.000 2.444 283 R N 1.652 122.167 120.500 0.026 0.000 2.522 283 R HA 0.204 4.544 4.340 -0.000 0.000 0.284 283 R C -1.025 175.287 176.300 0.020 0.000 1.032 283 R CA -0.910 55.201 56.100 0.019 0.000 1.049 283 R CB -0.038 30.274 30.300 0.020 0.000 0.956 283 R HN 0.152 nan 8.270 nan 0.000 0.422 284 P HA -0.336 nan 4.420 nan 0.000 0.227 284 P C -0.703 176.636 177.300 0.065 0.000 1.141 284 P CA 1.559 64.680 63.100 0.035 0.000 0.964 284 P CB 0.027 31.740 31.700 0.021 0.000 0.784 285 E N -1.811 118.415 120.200 0.043 0.000 7.473 285 E HA -0.250 4.100 4.350 -0.000 0.000 0.374 285 E C -1.116 175.568 176.600 0.139 0.000 0.644 285 E CA 0.252 56.672 56.400 0.034 0.000 1.131 285 E CB -1.647 28.098 29.700 0.075 0.000 0.938 285 E HN 0.579 nan 8.360 nan 0.000 0.266 286 H N -0.004 119.077 119.070 0.018 0.000 3.276 286 H HA -0.108 4.448 4.556 -0.000 0.000 0.369 286 H C -0.929 174.421 175.328 0.036 0.000 1.231 286 H CA 0.969 57.035 56.048 0.029 0.000 1.221 286 H CB -1.307 28.471 29.762 0.027 0.000 1.558 286 H HN 0.686 nan 8.280 nan 0.000 0.427 287 C N 2.954 122.310 119.300 0.094 0.000 2.446 287 C HA 0.379 4.839 4.460 -0.000 0.000 0.329 287 C C 1.580 176.602 174.990 0.053 0.000 1.166 287 C CA -0.174 58.881 59.018 0.062 0.000 1.341 287 C CB -0.062 27.674 27.740 -0.007 0.000 1.970 287 C HN 0.951 nan 8.230 nan 0.000 0.452 288 H N 2.641 121.732 119.070 0.036 0.000 2.556 288 H HA 0.245 4.800 4.556 -0.000 0.000 0.268 288 H C 0.515 175.850 175.328 0.011 0.000 0.996 288 H CA 0.986 57.056 56.048 0.036 0.000 1.157 288 H CB -0.091 29.708 29.762 0.062 0.000 1.355 288 H HN 0.648 nan 8.280 nan 0.000 0.597 289 T N -1.302 113.027 114.554 -0.374 0.000 2.916 289 T HA 0.488 4.838 4.350 -0.000 0.000 0.292 289 T C -0.788 173.809 174.700 -0.172 0.000 1.055 289 T CA -1.074 60.838 62.100 -0.314 0.000 1.009 289 T CB 2.760 71.423 68.868 -0.341 0.000 1.118 289 T HN 0.599 nan 8.240 nan 0.000 0.497 290 Q N 0.024 119.740 119.800 -0.140 0.000 2.391 290 Q HA 0.645 4.985 4.340 -0.000 0.000 0.279 290 Q C -1.437 174.510 176.000 -0.088 0.000 1.028 290 Q CA -1.269 54.471 55.803 -0.104 0.000 0.836 290 Q CB 2.130 30.821 28.738 -0.079 0.000 1.414 290 Q HN 0.810 nan 8.270 nan 0.000 0.397 291 V N -0.972 118.912 119.914 -0.050 0.000 2.732 291 V HA 0.977 5.097 4.120 -0.000 0.000 0.310 291 V C -0.074 176.047 176.094 0.045 0.000 1.053 291 V CA -0.379 61.938 62.300 0.028 0.000 0.957 291 V CB 1.216 33.106 31.823 0.111 0.000 1.018 291 V HN 0.967 nan 8.190 nan 0.000 0.452 292 A N 2.838 125.694 122.820 0.060 0.000 2.331 292 A HA 0.736 5.055 4.320 -0.000 0.000 0.283 292 A C 0.462 178.135 177.584 0.149 0.000 1.142 292 A CA -0.133 51.932 52.037 0.047 0.000 0.812 292 A CB 1.252 20.237 19.000 -0.026 0.000 1.074 292 A HN 1.164 nan 8.150 nan 0.000 0.497 293 V N 1.843 121.831 119.914 0.124 0.000 3.050 293 V HA 0.204 4.324 4.120 -0.000 0.000 0.223 293 V C 0.586 176.739 176.094 0.098 0.000 1.162 293 V CA 0.898 63.290 62.300 0.153 0.000 1.247 293 V CB -0.608 31.289 31.823 0.123 0.000 1.125 293 V HN 0.718 nan 8.190 nan 0.000 0.508 294 K N 0.657 121.102 120.400 0.075 0.000 2.164 294 K HA 0.646 4.966 4.320 -0.000 0.000 0.258 294 K C -1.131 175.502 176.600 0.056 0.000 0.951 294 K CA -0.248 56.077 56.287 0.063 0.000 0.844 294 K CB 1.770 34.306 32.500 0.061 0.000 1.099 294 K HN 0.194 nan 8.250 nan 0.000 0.435 295 L N 2.048 123.302 121.223 0.053 0.000 2.317 295 L HA 0.391 4.731 4.340 -0.000 0.000 0.281 295 L C -0.733 176.200 176.870 0.105 0.000 1.024 295 L CA -0.234 54.632 54.840 0.042 0.000 0.810 295 L CB 1.515 43.557 42.059 -0.028 0.000 1.240 295 L HN 0.557 nan 8.230 nan 0.000 0.427 296 D N 3.612 124.079 120.400 0.111 0.000 2.483 296 D HA -0.035 4.605 4.640 -0.000 0.000 0.220 296 D C 1.041 177.482 176.300 0.234 0.000 1.173 296 D CA 0.049 54.142 54.000 0.155 0.000 0.964 296 D CB 0.025 40.896 40.800 0.118 0.000 1.046 296 D HN 0.575 nan 8.370 nan 0.000 0.517 297 F N 3.166 123.193 119.950 0.127 0.000 2.087 297 F HA -0.271 4.256 4.527 -0.000 0.000 0.299 297 F C 1.873 177.855 175.800 0.303 0.000 1.100 297 F CA 1.625 59.758 58.000 0.221 0.000 1.226 297 F CB 0.421 39.545 39.000 0.207 0.000 0.983 297 F HN 0.308 nan 8.300 nan 0.000 0.479 298 E N 0.366 120.829 120.200 0.437 0.000 2.047 298 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 298 E C 2.216 178.913 176.600 0.162 0.000 0.987 298 E CA 1.251 57.828 56.400 0.296 0.000 0.799 298 E CB -0.561 29.285 29.700 0.243 0.000 0.752 298 E HN 0.464 nan 8.360 nan 0.000 0.449 299 K N 0.029 120.511 120.400 0.137 0.000 2.097 299 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 299 K C 2.158 178.780 176.600 0.038 0.000 1.049 299 K CA 0.975 57.309 56.287 0.078 0.000 0.933 299 K CB -0.253 32.292 32.500 0.075 0.000 0.717 299 K HN 0.015 nan 8.250 nan 0.000 0.442 300 F N 0.218 120.105 119.950 -0.105 0.000 2.051 300 F HA -0.176 4.351 4.527 -0.000 0.000 0.296 300 F C 1.546 177.168 175.800 -0.296 0.000 1.122 300 F CA 1.720 59.565 58.000 -0.259 0.000 1.201 300 F CB -0.726 38.021 39.000 -0.423 0.000 0.978 300 F HN 0.097 nan 8.300 nan 0.000 0.472 301 W N 0.656 121.682 121.300 -0.457 0.000 2.421 301 W HA 0.003 4.663 4.660 -0.000 0.000 0.270 301 W C 2.601 178.915 176.519 -0.341 0.000 1.233 301 W CA 0.879 57.903 57.345 -0.535 0.000 1.226 301 W CB -0.918 28.293 29.460 -0.415 0.000 1.121 301 W HN 0.206 nan 8.180 nan 0.000 0.579 302 G N 0.510 109.300 108.800 -0.017 0.000 2.421 302 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 302 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 302 G C 1.421 176.277 174.900 -0.074 0.000 1.171 302 G CA 0.955 46.045 45.100 -0.016 0.000 0.775 302 G HN 0.180 nan 8.290 nan 0.000 0.543 303 L N 0.236 121.372 121.223 -0.144 0.000 2.079 303 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 303 L C 3.012 179.777 176.870 -0.175 0.000 1.081 303 L CA 0.549 55.297 54.840 -0.153 0.000 0.752 303 L CB -0.480 41.477 42.059 -0.170 0.000 0.896 303 L HN 0.111 nan 8.230 nan 0.000 0.433 304 V N 0.001 119.751 119.914 -0.272 0.000 2.244 304 V HA -0.284 3.836 4.120 -0.000 0.000 0.244 304 V C 2.377 178.442 176.094 -0.049 0.000 1.042 304 V CA 1.701 63.889 62.300 -0.185 0.000 1.006 304 V CB -0.426 31.263 31.823 -0.224 0.000 0.641 304 V HN 0.314 nan 8.190 nan 0.000 0.446 305 L N 0.282 121.500 121.223 -0.008 0.000 2.042 305 L HA -0.244 4.095 4.340 -0.000 0.000 0.210 305 L C 2.378 179.239 176.870 -0.015 0.000 1.076 305 L CA 2.202 57.044 54.840 0.003 0.000 0.749 305 L CB -0.708 41.355 42.059 0.007 0.000 0.893 305 L HN 0.452 nan 8.230 nan 0.000 0.432 306 D N -0.165 120.217 120.400 -0.030 0.000 2.144 306 D HA -0.196 4.444 4.640 -0.000 0.000 0.199 306 D C 2.131 178.409 176.300 -0.037 0.000 0.984 306 D CA 1.300 55.281 54.000 -0.032 0.000 0.834 306 D CB 0.146 40.923 40.800 -0.038 0.000 0.955 306 D HN 0.282 nan 8.370 nan 0.000 0.465 307 A N 0.097 122.891 122.820 -0.043 0.000 1.898 307 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 307 A C 2.391 179.958 177.584 -0.028 0.000 1.181 307 A CA 0.868 52.879 52.037 -0.044 0.000 0.620 307 A CB -0.852 18.122 19.000 -0.043 0.000 0.819 307 A HN 0.364 nan 8.150 nan 0.000 0.442 308 L N -0.612 120.606 121.223 -0.008 0.000 2.079 308 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 308 L C 2.621 179.491 176.870 0.001 0.000 1.081 308 L CA 1.767 56.614 54.840 0.011 0.000 0.752 308 L CB -0.527 41.546 42.059 0.024 0.000 0.896 308 L HN 0.521 nan 8.230 nan 0.000 0.433 309 E N -0.353 119.842 120.200 -0.010 0.000 2.072 309 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 309 E C 2.308 178.895 176.600 -0.022 0.000 0.985 309 E CA 0.834 57.226 56.400 -0.013 0.000 0.801 309 E CB 0.028 29.720 29.700 -0.014 0.000 0.750 309 E HN 0.438 nan 8.360 nan 0.000 0.452 310 R N 0.448 120.927 120.500 -0.036 0.000 2.092 310 R HA -0.053 4.287 4.340 -0.000 0.000 0.231 310 R C 2.371 178.632 176.300 -0.066 0.000 1.119 310 R CA 0.908 56.977 56.100 -0.053 0.000 0.970 310 R CB -0.265 29.993 30.300 -0.070 0.000 0.864 310 R HN 0.196 nan 8.270 nan 0.000 0.440 311 I N 0.429 120.959 120.570 -0.066 0.000 2.286 311 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 311 I C 1.721 177.827 176.117 -0.017 0.000 1.115 311 I CA 1.190 62.455 61.300 -0.059 0.000 1.392 311 I CB -0.779 37.216 38.000 -0.007 0.000 1.065 311 I HN 0.420 nan 8.210 nan 0.000 0.418 312 G N 0.895 109.690 108.800 -0.009 0.000 2.556 312 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.283 312 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.283 312 G C -0.096 174.812 174.900 0.012 0.000 1.177 312 G CA 0.369 45.469 45.100 0.000 0.000 0.978 312 G HN 0.360 nan 8.290 nan 0.000 0.554 313 D N 1.819 122.225 120.400 0.011 0.000 2.346 313 D HA 0.522 5.161 4.640 -0.000 0.000 0.255 313 D C -1.178 175.129 176.300 0.012 0.000 1.276 313 D CA -0.551 53.458 54.000 0.014 0.000 0.941 313 D CB 0.885 41.691 40.800 0.010 0.000 1.199 313 D HN 0.495 nan 8.370 nan 0.000 0.537 314 P HA 0.000 nan 4.420 nan 0.000 0.216 314 P CA 0.000 63.110 63.100 0.017 0.000 0.800 314 P CB 0.000 31.720 31.700 0.033 0.000 0.726