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 1dty_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTTDDLAFDE RHIWHPYTSM TSPLPVYPVV SAEGCELILS DGRRLVDGMS DATA SEQUENCE SWWAAIHGYN HPQLNAAMKS QIDAMSHVMF GEITHAPAIE LCRKLVAMTP DATA SEQUENCE QPLECVFLAD SGSVAVEVAM KMALQYWDAK GEARDRFLTF RNGYHGDTFG DATA SEQUENCE AMSVCDPDNS MHSLWKGYLP ENLFAPAPQS RMDGEWDERD MVGFARLMAA DATA SEQUENCE HRHEIAAVII EPIVQGAGGM RMYHPEWLKR IRKICDREGI LLIADEIATG DATA SEQUENCE FGRTGKLFAC EHAEIAPDIL CLGKALTGGT MTLSATLTTR EVAETISDGE DATA SEQUENCE AGCFMHGPTF MGNPLACAAA NASLAILESG DWQQQVADIE VQLREQLAPA DATA SEQUENCE RDAEMVADVR VLGAIGVVET THPVNMAALQ KFFVEQGVWI RPFGKLIYLM DATA SEQUENCE PPYIILPQQL QRLTAAVNRA VQDETFFCQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.001 0.000 1.302 2 T N -1.769 112.785 114.554 -0.001 0.000 2.927 2 T HA 0.433 4.792 4.350 0.015 0.000 0.281 2 T C 0.866 175.571 174.700 0.010 0.000 0.998 2 T CA -0.132 61.968 62.100 0.001 0.000 1.019 2 T CB 1.523 70.389 68.868 -0.004 0.000 1.061 2 T HN 0.652 nan 8.240 nan 0.000 0.518 3 T N 1.046 115.605 114.554 0.008 0.000 2.665 3 T HA -0.148 4.211 4.350 0.015 0.000 0.268 3 T C 1.454 176.170 174.700 0.027 0.000 1.035 3 T CA 2.214 64.322 62.100 0.012 0.000 1.151 3 T CB -0.648 68.225 68.868 0.008 0.000 0.862 3 T HN 0.862 nan 8.240 nan 0.000 0.438 4 D N 0.352 120.771 120.400 0.032 0.000 2.277 4 D HA -0.054 4.595 4.640 0.015 0.000 0.208 4 D C 1.708 178.066 176.300 0.096 0.000 0.962 4 D CA 0.471 54.507 54.000 0.060 0.000 0.865 4 D CB -0.169 40.661 40.800 0.051 0.000 0.939 4 D HN 0.189 nan 8.370 nan 0.000 0.510 5 D N -0.160 120.277 120.400 0.062 0.000 2.084 5 D HA -0.117 4.532 4.640 0.015 0.000 0.194 5 D C 2.214 178.594 176.300 0.132 0.000 0.990 5 D CA 0.738 54.788 54.000 0.083 0.000 0.826 5 D CB -0.270 40.549 40.800 0.033 0.000 0.971 5 D HN 0.300 nan 8.370 nan 0.000 0.453 6 L N 0.541 121.809 121.223 0.076 0.000 2.083 6 L HA -0.127 4.222 4.340 0.015 0.000 0.209 6 L C 2.496 179.404 176.870 0.064 0.000 1.083 6 L CA 1.142 56.016 54.840 0.056 0.000 0.752 6 L CB -0.495 41.570 42.059 0.011 0.000 0.899 6 L HN -0.032 nan 8.230 nan 0.000 0.433 7 A N -0.200 122.665 122.820 0.074 0.000 1.930 7 A HA -0.217 4.112 4.320 0.015 0.000 0.217 7 A C 2.176 179.830 177.584 0.116 0.000 1.175 7 A CA 1.110 53.185 52.037 0.065 0.000 0.627 7 A CB -0.707 18.328 19.000 0.058 0.000 0.815 7 A HN 0.390 nan 8.150 nan 0.000 0.443 8 F N 1.344 121.326 119.950 0.053 0.000 2.134 8 F HA -0.197 4.339 4.527 0.015 0.000 0.299 8 F C 2.061 177.936 175.800 0.126 0.000 1.097 8 F CA 2.086 60.157 58.000 0.118 0.000 1.264 8 F CB -0.148 38.899 39.000 0.078 0.000 1.001 8 F HN 0.431 nan 8.300 nan 0.000 0.479 9 D N 0.404 120.925 120.400 0.201 0.000 2.106 9 D HA -0.259 4.390 4.640 0.015 0.000 0.191 9 D C 1.814 178.107 176.300 -0.012 0.000 0.997 9 D CA 2.073 56.142 54.000 0.116 0.000 0.834 9 D CB -0.302 40.597 40.800 0.165 0.000 0.956 9 D HN 0.551 nan 8.370 nan 0.000 0.448 10 E N -0.297 119.881 120.200 -0.036 0.000 2.160 10 E HA -0.200 4.159 4.350 0.015 0.000 0.195 10 E C 2.299 178.787 176.600 -0.187 0.000 0.991 10 E CA 0.740 57.086 56.400 -0.090 0.000 0.810 10 E CB -0.016 29.636 29.700 -0.080 0.000 0.742 10 E HN 0.168 nan 8.360 nan 0.000 0.466 11 R N -0.756 119.579 120.500 -0.274 0.000 2.265 11 R HA 0.039 4.388 4.340 0.015 0.000 0.194 11 R C 1.550 177.402 176.300 -0.746 0.000 0.931 11 R CA 0.673 56.487 56.100 -0.478 0.000 1.032 11 R CB 0.431 30.428 30.300 -0.504 0.000 0.980 11 R HN 0.161 nan 8.270 nan 0.000 0.497 12 H N -1.487 117.294 119.070 -0.481 0.000 3.266 12 H HA 0.268 4.834 4.556 0.015 0.000 0.246 12 H C -0.156 174.976 175.328 -0.327 0.000 0.998 12 H CA 0.048 55.787 56.048 -0.515 0.000 1.152 12 H CB 1.000 30.193 29.762 -0.949 0.000 1.466 12 H HN 0.011 nan 8.280 nan 0.000 0.481 13 I N 1.781 122.288 120.570 -0.104 0.000 2.312 13 I HA 0.029 4.208 4.170 0.015 0.000 0.290 13 I C -0.008 176.182 176.117 0.121 0.000 1.008 13 I CA -0.424 60.906 61.300 0.051 0.000 1.226 13 I CB 1.236 39.308 38.000 0.119 0.000 1.371 13 I HN 0.021 nan 8.210 nan 0.000 0.468 14 W N 5.855 127.188 121.300 0.055 0.000 2.137 14 W HA 0.184 4.853 4.660 0.016 0.000 0.344 14 W C 0.463 177.023 176.519 0.068 0.000 1.286 14 W CA 0.224 57.618 57.345 0.083 0.000 1.240 14 W CB 0.536 30.016 29.460 0.033 0.000 1.141 14 W HN 0.470 nan 8.180 nan 0.000 0.579 15 H N 1.839 121.144 119.070 0.391 0.000 2.797 15 H HA 0.234 4.799 4.556 0.015 0.000 0.362 15 H C -1.888 173.611 175.328 0.285 0.000 1.183 15 H CA -1.897 54.328 56.048 0.293 0.000 1.197 15 H CB 1.511 31.428 29.762 0.258 0.000 1.835 15 H HN -0.163 nan 8.280 nan 0.000 0.567 16 P HA -0.086 nan 4.420 nan 0.000 0.256 16 P C -0.894 176.683 177.300 0.461 0.000 1.173 16 P CA 0.664 63.989 63.100 0.376 0.000 0.768 16 P CB -0.520 31.484 31.700 0.507 0.000 0.758 17 Y N -0.318 120.091 120.300 0.182 0.000 2.987 17 Y HA -0.226 4.333 4.550 0.016 0.000 0.177 17 Y C 0.579 176.625 175.900 0.244 0.000 1.560 17 Y CA 0.849 59.062 58.100 0.187 0.000 0.893 17 Y CB -2.248 36.319 38.460 0.178 0.000 1.372 17 Y HN 0.294 nan 8.280 nan 0.000 0.397 18 T N 0.316 115.075 114.554 0.342 0.000 2.903 18 T HA 0.561 4.920 4.350 0.015 0.000 0.299 18 T C -0.626 174.298 174.700 0.373 0.000 1.093 18 T CA -0.378 61.938 62.100 0.360 0.000 1.002 18 T CB 1.994 71.104 68.868 0.403 0.000 1.127 18 T HN 0.288 nan 8.240 nan 0.000 0.488 19 S N 1.964 117.809 115.700 0.242 0.000 2.499 19 S HA 0.362 4.841 4.470 0.015 0.000 0.279 19 S C 1.022 175.650 174.600 0.046 0.000 1.219 19 S CA -0.618 57.687 58.200 0.174 0.000 1.062 19 S CB 0.812 64.078 63.200 0.111 0.000 0.978 19 S HN 0.690 nan 8.310 nan 0.000 0.489 20 M N 4.710 124.282 119.600 -0.046 0.000 2.514 20 M HA 0.077 4.566 4.480 0.015 0.000 0.258 20 M C 1.838 178.028 176.300 -0.184 0.000 1.119 20 M CA 1.626 56.759 55.300 -0.277 0.000 1.111 20 M CB -0.609 31.657 32.600 -0.557 0.000 1.390 20 M HN 0.877 nan 8.290 nan 0.000 0.475 21 T N -3.291 111.210 114.554 -0.089 0.000 2.894 21 T HA 0.120 4.479 4.350 0.015 0.000 0.258 21 T C 0.867 175.531 174.700 -0.059 0.000 1.043 21 T CA 0.884 62.940 62.100 -0.073 0.000 1.141 21 T CB -0.312 68.535 68.868 -0.035 0.000 0.873 21 T HN 0.282 nan 8.240 nan 0.000 0.449 22 S N 2.737 118.418 115.700 -0.032 0.000 2.399 22 S HA 0.398 4.877 4.470 0.015 0.000 0.198 22 S C -2.773 171.823 174.600 -0.006 0.000 1.294 22 S CA -1.173 57.015 58.200 -0.020 0.000 1.237 22 S CB 0.828 64.026 63.200 -0.004 0.000 1.286 22 S HN 0.461 nan 8.310 nan 0.000 0.404 23 P HA 0.267 nan 4.420 nan 0.000 0.272 23 P C -0.297 176.999 177.300 -0.007 0.000 1.223 23 P CA -0.421 62.678 63.100 -0.001 0.000 0.784 23 P CB 0.848 32.530 31.700 -0.030 0.000 0.923 24 L N 2.162 123.392 121.223 0.012 0.000 2.416 24 L HA 0.395 4.744 4.340 0.015 0.000 0.262 24 L C -1.750 175.103 176.870 -0.029 0.000 1.093 24 L CA -2.142 52.701 54.840 0.006 0.000 0.801 24 L CB -0.179 41.905 42.059 0.041 0.000 1.191 24 L HN 0.243 nan 8.230 nan 0.000 0.459 25 P HA 0.059 nan 4.420 nan 0.000 0.269 25 P C -1.012 176.204 177.300 -0.140 0.000 1.211 25 P CA -0.072 62.952 63.100 -0.128 0.000 0.781 25 P CB 0.513 32.129 31.700 -0.140 0.000 0.877 26 V N -1.257 118.491 119.914 -0.277 0.000 3.114 26 V HA 0.593 4.722 4.120 0.015 0.000 0.308 26 V C -1.631 174.233 176.094 -0.383 0.000 1.168 26 V CA -1.012 61.175 62.300 -0.188 0.000 1.015 26 V CB 1.868 33.567 31.823 -0.208 0.000 1.050 26 V HN 0.332 nan 8.190 nan 0.000 0.433 27 Y N 2.113 122.420 120.300 0.011 0.000 2.341 27 Y HA 0.731 5.290 4.550 0.016 0.000 0.338 27 Y C -2.195 173.641 175.900 -0.107 0.000 0.965 27 Y CA -2.130 55.951 58.100 -0.032 0.000 1.108 27 Y CB 2.079 40.540 38.460 0.002 0.000 1.180 27 Y HN 0.551 nan 8.280 nan 0.000 0.458 28 P HA 0.197 nan 4.420 nan 0.000 0.287 28 P C -0.863 176.409 177.300 -0.045 0.000 1.307 28 P CA -0.161 62.932 63.100 -0.012 0.000 0.777 28 P CB 1.233 32.929 31.700 -0.007 0.000 0.883 29 V N 4.703 124.560 119.914 -0.094 0.000 2.394 29 V HA 0.078 4.207 4.120 0.015 0.000 0.282 29 V C 1.630 177.666 176.094 -0.097 0.000 1.031 29 V CA -0.254 61.964 62.300 -0.137 0.000 0.881 29 V CB 1.659 33.343 31.823 -0.230 0.000 0.982 29 V HN 0.474 nan 8.190 nan 0.000 0.451 30 V N 2.039 121.901 119.914 -0.087 0.000 3.125 30 V HA 0.353 4.482 4.120 0.015 0.000 0.249 30 V C 0.657 176.709 176.094 -0.070 0.000 1.113 30 V CA 1.029 63.291 62.300 -0.064 0.000 1.106 30 V CB 0.146 31.940 31.823 -0.048 0.000 0.768 30 V HN 0.883 nan 8.190 nan 0.000 0.468 31 S N -1.123 114.518 115.700 -0.098 0.000 2.655 31 S HA 0.871 5.350 4.470 0.015 0.000 0.266 31 S C -0.902 173.608 174.600 -0.151 0.000 1.149 31 S CA -0.158 57.984 58.200 -0.096 0.000 0.818 31 S CB 1.381 64.542 63.200 -0.064 0.000 1.130 31 S HN 1.950 nan 8.310 nan 0.000 0.476 32 A N 0.637 123.376 122.820 -0.136 0.000 2.565 32 A HA 0.737 5.066 4.320 0.015 0.000 0.298 32 A C -1.493 176.048 177.584 -0.071 0.000 1.062 32 A CA -0.689 51.219 52.037 -0.216 0.000 0.723 32 A CB 1.122 19.812 19.000 -0.516 0.000 1.282 32 A HN 1.102 nan 8.150 nan 0.000 0.400 33 E N 1.546 121.720 120.200 -0.044 0.000 2.331 33 E HA 0.670 5.029 4.350 0.015 0.000 0.275 33 E C 0.559 177.208 176.600 0.081 0.000 0.895 33 E CA -0.742 55.685 56.400 0.046 0.000 0.753 33 E CB 1.704 31.409 29.700 0.008 0.000 1.216 33 E HN 2.173 nan 8.360 nan 0.000 0.434 34 G N 1.235 110.106 108.800 0.119 0.000 2.622 34 G HA2 -0.411 3.558 3.960 0.015 0.000 0.307 34 G HA3 -0.411 3.558 3.960 0.015 0.000 0.307 34 G C 0.606 175.626 174.900 0.201 0.000 1.226 34 G CA 0.355 45.523 45.100 0.114 0.000 0.997 34 G HN 0.793 nan 8.290 nan 0.000 0.551 35 C N 2.103 121.483 119.300 0.133 0.000 2.589 35 C HA 0.637 5.106 4.460 0.015 0.000 0.307 35 C C 0.611 175.646 174.990 0.075 0.000 1.328 35 C CA 0.112 59.219 59.018 0.147 0.000 1.742 35 C CB -1.930 25.864 27.740 0.091 0.000 2.037 35 C HN 0.453 nan 8.230 nan 0.000 0.592 36 E N 0.018 120.223 120.200 0.008 0.000 2.312 36 E HA 0.600 4.959 4.350 0.015 0.000 0.267 36 E C -1.275 175.189 176.600 -0.226 0.000 0.894 36 E CA -0.463 55.886 56.400 -0.085 0.000 0.773 36 E CB 1.830 31.495 29.700 -0.059 0.000 1.241 36 E HN 0.262 nan 8.360 nan 0.000 0.432 37 L N 2.760 123.831 121.223 -0.253 0.000 2.346 37 L HA 0.583 4.932 4.340 0.015 0.000 0.276 37 L C -0.671 176.071 176.870 -0.213 0.000 1.006 37 L CA -0.783 53.860 54.840 -0.328 0.000 0.817 37 L CB 1.269 43.069 42.059 -0.431 0.000 1.272 37 L HN 0.374 nan 8.230 nan 0.000 0.421 38 I N 3.438 123.895 120.570 -0.190 0.000 2.378 38 I HA 0.363 4.542 4.170 0.015 0.000 0.291 38 I C -0.195 175.855 176.117 -0.111 0.000 0.992 38 I CA -0.426 60.799 61.300 -0.124 0.000 1.154 38 I CB 1.676 39.618 38.000 -0.096 0.000 1.315 38 I HN 0.387 nan 8.210 nan 0.000 0.448 39 L N 4.199 125.375 121.223 -0.078 0.000 2.456 39 L HA 0.228 4.577 4.340 0.015 0.000 0.257 39 L C 1.675 178.525 176.870 -0.033 0.000 1.162 39 L CA -0.029 54.782 54.840 -0.048 0.000 0.808 39 L CB 1.238 43.293 42.059 -0.007 0.000 1.136 39 L HN 0.788 nan 8.230 nan 0.000 0.466 40 S N -0.571 115.116 115.700 -0.021 0.000 2.419 40 S HA -0.205 4.274 4.470 0.015 0.000 0.235 40 S C 1.166 175.759 174.600 -0.011 0.000 1.019 40 S CA 1.206 59.396 58.200 -0.017 0.000 0.982 40 S CB -0.448 62.746 63.200 -0.011 0.000 0.789 40 S HN 0.865 nan 8.310 nan 0.000 0.490 41 D N 0.701 121.100 120.400 -0.003 0.000 2.328 41 D HA 0.170 4.819 4.640 0.015 0.000 0.226 41 D C 1.380 177.675 176.300 -0.007 0.000 1.066 41 D CA 0.684 54.684 54.000 -0.001 0.000 0.861 41 D CB -0.466 40.340 40.800 0.010 0.000 0.912 41 D HN 0.609 nan 8.370 nan 0.000 0.521 42 G N 1.027 109.817 108.800 -0.016 0.000 2.199 42 G HA2 -0.343 3.626 3.960 0.015 0.000 0.254 42 G HA3 -0.343 3.626 3.960 0.015 0.000 0.254 42 G C 0.452 175.338 174.900 -0.024 0.000 0.982 42 G CA 0.167 45.254 45.100 -0.021 0.000 0.632 42 G HN 0.596 nan 8.290 nan 0.000 0.529 43 R N 0.927 121.415 120.500 -0.019 0.000 2.623 43 R HA 0.534 4.883 4.340 0.015 0.000 0.271 43 R C 0.432 176.708 176.300 -0.040 0.000 1.043 43 R CA 0.288 56.375 56.100 -0.022 0.000 1.083 43 R CB 0.225 30.520 30.300 -0.008 0.000 0.974 43 R HN 0.375 nan 8.270 nan 0.000 0.436 44 R N 4.859 125.333 120.500 -0.043 0.000 2.409 44 R HA 0.339 4.688 4.340 0.015 0.000 0.313 44 R C -0.907 175.360 176.300 -0.056 0.000 0.953 44 R CA -0.601 55.465 56.100 -0.056 0.000 0.849 44 R CB 1.179 31.450 30.300 -0.048 0.000 1.171 44 R HN 0.426 nan 8.270 nan 0.000 0.458 45 L N 3.606 124.787 121.223 -0.069 0.000 2.309 45 L HA 0.474 4.823 4.340 0.015 0.000 0.282 45 L C 0.422 177.262 176.870 -0.049 0.000 1.036 45 L CA -1.332 53.478 54.840 -0.049 0.000 0.806 45 L CB 1.729 43.775 42.059 -0.021 0.000 1.220 45 L HN 0.335 nan 8.230 nan 0.000 0.429 46 V N -1.312 118.580 119.914 -0.037 0.000 2.530 46 V HA 0.263 4.392 4.120 0.015 0.000 0.282 46 V C -0.249 175.842 176.094 -0.006 0.000 1.048 46 V CA -0.567 61.717 62.300 -0.027 0.000 0.997 46 V CB 1.297 33.101 31.823 -0.031 0.000 0.987 46 V HN 0.721 nan 8.190 nan 0.000 0.477 47 D N 4.009 124.421 120.400 0.020 0.000 2.295 47 D HA 0.500 5.149 4.640 0.015 0.000 0.248 47 D C 0.930 177.257 176.300 0.045 0.000 1.154 47 D CA 0.472 54.513 54.000 0.067 0.000 0.857 47 D CB 1.457 42.338 40.800 0.135 0.000 1.117 47 D HN 0.784 nan 8.370 nan 0.000 0.468 48 G N 3.035 111.830 108.800 -0.008 0.000 3.159 48 G HA2 0.001 3.970 3.960 0.015 0.000 0.232 48 G HA3 0.001 3.970 3.960 0.015 0.000 0.232 48 G C 0.898 175.741 174.900 -0.095 0.000 1.116 48 G CA -0.098 44.956 45.100 -0.076 0.000 0.767 48 G HN 0.417 nan 8.290 nan 0.000 0.547 49 M N -0.082 119.491 119.600 -0.045 0.000 2.421 49 M HA 0.269 4.758 4.480 0.015 0.000 0.258 49 M C 1.442 177.728 176.300 -0.023 0.000 1.122 49 M CA -0.059 55.191 55.300 -0.082 0.000 1.078 49 M CB -0.179 32.376 32.600 -0.075 0.000 1.380 49 M HN 0.091 nan 8.290 nan 0.000 0.499 50 S N 1.367 117.090 115.700 0.038 0.000 3.533 50 S HA -0.158 4.321 4.470 0.015 0.000 0.347 50 S C 0.544 175.178 174.600 0.056 0.000 1.101 50 S CA 0.705 58.916 58.200 0.019 0.000 1.009 50 S CB -1.668 61.518 63.200 -0.022 0.000 0.916 50 S HN 0.563 nan 8.310 nan 0.000 0.496 51 S N -0.800 114.954 115.700 0.089 0.000 3.631 51 S HA -0.205 4.274 4.470 0.015 0.000 0.366 51 S C 0.050 174.780 174.600 0.217 0.000 0.993 51 S CA 0.990 59.229 58.200 0.065 0.000 1.167 51 S CB -1.457 61.826 63.200 0.139 0.000 0.909 51 S HN 0.919 nan 8.310 nan 0.000 0.478 52 W N -1.675 119.710 121.300 0.141 0.000 4.611 52 W HA -0.223 4.445 4.660 0.014 0.000 0.433 52 W C 0.508 177.248 176.519 0.368 0.000 1.733 52 W CA 0.680 58.143 57.345 0.197 0.000 0.794 52 W CB -2.614 27.012 29.460 0.276 0.000 2.924 52 W HN 0.820 nan 8.180 nan 0.000 1.035 53 W N -2.942 118.515 121.300 0.261 0.000 0.608 53 W HA -0.410 4.258 4.660 0.013 0.000 0.216 53 W C 2.042 178.583 176.519 0.037 0.000 0.919 53 W CA 2.836 60.271 57.345 0.151 0.000 0.336 53 W CB -2.365 27.187 29.460 0.153 0.000 1.913 53 W HN 0.373 nan 8.180 nan 0.000 1.297 54 A N 0.542 123.529 122.820 0.278 0.000 1.892 54 A HA 0.188 4.517 4.320 0.015 0.000 0.218 54 A C 1.655 179.183 177.584 -0.094 0.000 1.188 54 A CA 2.563 54.656 52.037 0.092 0.000 0.631 54 A CB -1.142 17.921 19.000 0.105 0.000 0.822 54 A HN 1.009 nan 8.150 nan 0.000 0.447 55 A N 0.538 123.267 122.820 -0.152 0.000 3.063 55 A HA 0.463 4.792 4.320 0.015 0.000 0.263 55 A C 1.161 178.508 177.584 -0.393 0.000 1.736 55 A CA 0.113 51.945 52.037 -0.341 0.000 1.408 55 A CB -1.142 17.495 19.000 -0.606 0.000 1.108 55 A HN 0.778 nan 8.150 nan 0.000 0.621 56 I N -2.693 117.558 120.570 -0.532 0.000 2.756 56 I HA -0.084 4.095 4.170 0.015 0.000 0.262 56 I C 0.711 176.331 176.117 -0.827 0.000 1.225 56 I CA 1.005 61.765 61.300 -0.900 0.000 1.472 56 I CB -0.388 36.813 38.000 -1.331 0.000 1.094 56 I HN 0.465 nan 8.210 nan 0.000 0.454 57 H N 1.791 120.665 119.070 -0.326 0.000 2.505 57 H HA 0.436 5.001 4.556 0.015 0.000 0.286 57 H C 1.385 176.675 175.328 -0.064 0.000 1.072 57 H CA 0.346 56.302 56.048 -0.153 0.000 1.141 57 H CB 0.007 29.645 29.762 -0.207 0.000 1.550 57 H HN 0.524 nan 8.280 nan 0.000 0.547 58 G N 0.844 109.575 108.800 -0.116 0.000 2.562 58 G HA2 -0.289 3.681 3.960 0.015 0.000 0.250 58 G HA3 -0.289 3.681 3.960 0.015 0.000 0.250 58 G C -0.963 173.749 174.900 -0.312 0.000 1.269 58 G CA -0.277 44.752 45.100 -0.118 0.000 0.919 58 G HN 0.338 nan 8.290 nan 0.000 0.574 59 Y N 0.076 120.398 120.300 0.038 0.000 2.524 59 Y HA 0.659 5.219 4.550 0.017 0.000 0.344 59 Y C 1.178 177.098 175.900 0.033 0.000 1.012 59 Y CA -0.211 57.903 58.100 0.024 0.000 1.068 59 Y CB 1.698 40.151 38.460 -0.012 0.000 1.249 59 Y HN 0.776 nan 8.280 nan 0.000 0.468 60 N N 1.295 120.103 118.700 0.181 0.000 2.721 60 N HA -0.287 4.462 4.740 0.015 0.000 0.249 60 N C -0.605 174.958 175.510 0.088 0.000 1.072 60 N CA 0.597 53.711 53.050 0.107 0.000 0.710 60 N CB -1.252 37.281 38.487 0.077 0.000 0.993 60 N HN 0.939 nan 8.380 nan 0.000 0.547 61 H N 0.293 119.371 119.070 0.014 0.000 2.928 61 H HA 0.082 4.647 4.556 0.016 0.000 0.338 61 H C -1.049 174.268 175.328 -0.018 0.000 1.047 61 H CA -0.482 55.561 56.048 -0.008 0.000 1.435 61 H CB 1.035 30.776 29.762 -0.034 0.000 1.428 61 H HN 0.098 nan 8.280 nan 0.000 0.590 62 P HA -0.159 nan 4.420 nan 0.000 0.216 62 P C 1.026 178.396 177.300 0.117 0.000 1.153 62 P CA 1.300 64.402 63.100 0.004 0.000 0.844 62 P CB 0.289 31.938 31.700 -0.085 0.000 0.787 63 Q N -0.903 119.085 119.800 0.313 0.000 2.084 63 Q HA -0.128 4.221 4.340 0.015 0.000 0.202 63 Q C 2.201 178.237 176.000 0.060 0.000 0.978 63 Q CA 1.103 57.007 55.803 0.168 0.000 0.844 63 Q CB -0.628 28.181 28.738 0.118 0.000 0.898 63 Q HN 0.117 nan 8.270 nan 0.000 0.426 64 L N 1.042 122.303 121.223 0.064 0.000 2.017 64 L HA -0.223 4.126 4.340 0.015 0.000 0.208 64 L C 1.904 178.779 176.870 0.009 0.000 1.073 64 L CA 1.605 56.433 54.840 -0.021 0.000 0.745 64 L CB -0.726 41.324 42.059 -0.015 0.000 0.894 64 L HN 0.228 nan 8.230 nan 0.000 0.432 65 N N -0.368 118.357 118.700 0.041 0.000 2.058 65 N HA -0.137 4.612 4.740 0.015 0.000 0.191 65 N C 1.831 177.347 175.510 0.012 0.000 1.037 65 N CA 1.642 54.707 53.050 0.024 0.000 0.848 65 N CB -0.488 38.016 38.487 0.028 0.000 1.021 65 N HN 0.365 nan 8.380 nan 0.000 0.422 66 A N 0.881 123.710 122.820 0.015 0.000 1.972 66 A HA 0.057 4.386 4.320 0.015 0.000 0.219 66 A C 2.339 179.923 177.584 -0.001 0.000 1.169 66 A CA 1.832 53.873 52.037 0.006 0.000 0.635 66 A CB -0.704 18.302 19.000 0.009 0.000 0.810 66 A HN 0.335 nan 8.150 nan 0.000 0.446 67 A N -0.420 122.396 122.820 -0.007 0.000 1.902 67 A HA -0.111 4.218 4.320 0.015 0.000 0.217 67 A C 2.256 179.830 177.584 -0.016 0.000 1.181 67 A CA 1.750 53.778 52.037 -0.016 0.000 0.623 67 A CB -0.538 18.445 19.000 -0.029 0.000 0.818 67 A HN 0.524 nan 8.150 nan 0.000 0.443 68 M N -0.503 119.088 119.600 -0.016 0.000 2.065 68 M HA -0.203 4.286 4.480 0.015 0.000 0.259 68 M C 2.179 178.473 176.300 -0.010 0.000 1.069 68 M CA 1.941 57.232 55.300 -0.015 0.000 1.110 68 M CB -0.457 32.136 32.600 -0.013 0.000 1.328 68 M HN 0.323 nan 8.290 nan 0.000 0.405 69 K N -0.374 120.022 120.400 -0.006 0.000 2.103 69 K HA -0.106 4.224 4.320 0.015 0.000 0.207 69 K C 2.137 178.734 176.600 -0.005 0.000 1.048 69 K CA 1.528 57.813 56.287 -0.004 0.000 0.930 69 K CB -0.243 32.256 32.500 -0.001 0.000 0.716 69 K HN 0.234 nan 8.250 nan 0.000 0.444 70 S N 1.079 116.775 115.700 -0.006 0.000 2.355 70 S HA -0.172 4.307 4.470 0.015 0.000 0.222 70 S C 1.965 176.559 174.600 -0.009 0.000 1.031 70 S CA 1.244 59.440 58.200 -0.006 0.000 0.993 70 S CB -0.139 63.058 63.200 -0.005 0.000 0.859 70 S HN 0.260 nan 8.310 nan 0.000 0.453 71 Q N 1.506 121.298 119.800 -0.014 0.000 2.124 71 Q HA 0.046 4.395 4.340 0.015 0.000 0.202 71 Q C 1.789 177.779 176.000 -0.018 0.000 0.977 71 Q CA 1.413 57.203 55.803 -0.022 0.000 0.850 71 Q CB -0.643 28.076 28.738 -0.031 0.000 0.901 71 Q HN 0.578 nan 8.270 nan 0.000 0.429 72 I N 0.751 121.315 120.570 -0.010 0.000 2.315 72 I HA -0.292 3.887 4.170 0.015 0.000 0.251 72 I C 1.307 177.424 176.117 -0.001 0.000 1.125 72 I CA 1.501 62.799 61.300 -0.003 0.000 1.392 72 I CB -0.301 37.698 38.000 -0.001 0.000 1.065 72 I HN 0.223 nan 8.210 nan 0.000 0.424 73 D N 0.458 120.855 120.400 -0.004 0.000 2.317 73 D HA -0.017 4.632 4.640 0.015 0.000 0.211 73 D C 2.022 178.320 176.300 -0.003 0.000 0.966 73 D CA 1.128 55.127 54.000 -0.002 0.000 0.876 73 D CB 0.266 41.065 40.800 -0.002 0.000 0.927 73 D HN 0.382 nan 8.370 nan 0.000 0.519 74 A N 0.206 123.021 122.820 -0.008 0.000 1.942 74 A HA 0.302 4.631 4.320 0.015 0.000 0.209 74 A C 0.909 178.485 177.584 -0.014 0.000 1.214 74 A CA 0.564 52.595 52.037 -0.011 0.000 0.686 74 A CB 0.162 19.153 19.000 -0.015 0.000 0.871 74 A HN 0.278 nan 8.150 nan 0.000 0.460 75 M N -2.415 117.173 119.600 -0.019 0.000 2.410 75 M HA 0.158 4.647 4.480 0.015 0.000 0.255 75 M C -0.014 176.280 176.300 -0.011 0.000 0.936 75 M CA 0.202 55.494 55.300 -0.014 0.000 0.828 75 M CB 0.371 32.953 32.600 -0.031 0.000 2.029 75 M HN 0.186 nan 8.290 nan 0.000 0.537 76 S N -0.223 115.494 115.700 0.029 0.000 2.461 76 S HA 0.109 4.589 4.470 0.015 0.000 0.228 76 S C 0.294 174.976 174.600 0.136 0.000 1.005 76 S CA 1.375 59.605 58.200 0.051 0.000 0.942 76 S CB -0.240 62.993 63.200 0.054 0.000 0.776 76 S HN 0.982 nan 8.310 nan 0.000 0.514 77 H N -1.269 117.813 119.070 0.020 0.000 3.079 77 H HA 0.703 5.268 4.556 0.015 0.000 0.356 77 H C -1.835 173.522 175.328 0.048 0.000 1.221 77 H CA -0.453 55.632 56.048 0.063 0.000 1.185 77 H CB 1.894 31.774 29.762 0.196 0.000 1.882 77 H HN 0.104 nan 8.280 nan 0.000 0.543 78 V N 5.933 125.404 119.914 -0.739 0.000 3.000 78 V HA 0.338 4.467 4.120 0.015 0.000 0.300 78 V C -0.358 175.395 176.094 -0.569 0.000 1.251 78 V CA -0.822 61.157 62.300 -0.534 0.000 0.972 78 V CB 1.812 33.543 31.823 -0.153 0.000 1.065 78 V HN 1.020 nan 8.190 nan 0.000 0.431 79 M N 4.081 123.485 119.600 -0.327 0.000 2.252 79 M HA 0.300 4.790 4.480 0.015 0.000 0.329 79 M C -0.217 176.144 176.300 0.102 0.000 1.101 79 M CA 0.736 55.988 55.300 -0.080 0.000 1.117 79 M CB 0.150 32.724 32.600 -0.042 0.000 1.563 79 M HN 0.616 nan 8.290 nan 0.000 0.445 80 F N 1.362 121.296 119.950 -0.027 0.000 2.695 80 F HA 0.459 4.995 4.527 0.015 0.000 0.303 80 F C 0.788 176.559 175.800 -0.049 0.000 1.091 80 F CA -0.563 57.416 58.000 -0.036 0.000 1.300 80 F CB 0.493 39.478 39.000 -0.026 0.000 1.071 80 F HN 0.753 nan 8.300 nan 0.000 0.578 81 G N 0.993 109.799 108.800 0.010 0.000 3.302 81 G HA2 0.436 4.405 3.960 0.015 0.000 0.338 81 G HA3 0.436 4.405 3.960 0.015 0.000 0.338 81 G C -1.059 173.808 174.900 -0.056 0.000 1.405 81 G CA -0.185 44.890 45.100 -0.042 0.000 1.090 81 G HN 0.089 nan 8.290 nan 0.000 0.482 82 E N 1.776 121.921 120.200 -0.091 0.000 2.518 82 E HA 0.460 4.819 4.350 0.015 0.000 0.240 82 E C -0.605 175.886 176.600 -0.181 0.000 0.996 82 E CA -0.248 56.050 56.400 -0.170 0.000 0.768 82 E CB 1.378 30.989 29.700 -0.149 0.000 1.329 82 E HN 0.434 nan 8.360 nan 0.000 0.408 83 I N 0.848 121.288 120.570 -0.217 0.000 2.797 83 I HA 0.534 4.714 4.170 0.015 0.000 0.307 83 I C 0.164 176.082 176.117 -0.331 0.000 1.033 83 I CA -0.423 60.772 61.300 -0.175 0.000 1.071 83 I CB 2.237 40.202 38.000 -0.057 0.000 1.255 83 I HN 0.256 nan 8.210 nan 0.000 0.445 84 T N 3.002 117.426 114.554 -0.216 0.000 2.864 84 T HA 0.637 4.996 4.350 0.015 0.000 0.289 84 T C -1.473 173.219 174.700 -0.013 0.000 1.082 84 T CA -0.396 61.549 62.100 -0.258 0.000 1.009 84 T CB 1.086 69.799 68.868 -0.258 0.000 1.234 84 T HN 0.804 nan 8.240 nan 0.000 0.526 85 H N -1.351 117.806 119.070 0.145 0.000 2.932 85 H HA 0.626 5.191 4.556 0.015 0.000 0.307 85 H C 0.594 175.978 175.328 0.094 0.000 1.391 85 H CA -0.466 55.645 56.048 0.104 0.000 1.130 85 H CB 0.956 30.783 29.762 0.108 0.000 1.836 85 H HN 0.656 nan 8.280 nan 0.000 0.522 86 A N 0.501 123.489 122.820 0.281 0.000 1.855 86 A HA 0.031 4.361 4.320 0.015 0.000 0.215 86 A C -0.592 177.107 177.584 0.192 0.000 1.191 86 A CA 1.562 53.700 52.037 0.168 0.000 0.613 86 A CB -1.758 17.300 19.000 0.098 0.000 0.829 86 A HN 0.563 nan 8.150 nan 0.000 0.442 87 P HA -0.184 nan 4.420 nan 0.000 0.215 87 P C 1.801 179.223 177.300 0.203 0.000 1.157 87 P CA 2.200 65.396 63.100 0.161 0.000 0.874 87 P CB -0.133 31.602 31.700 0.059 0.000 0.790 88 A N -0.643 122.392 122.820 0.359 0.000 1.845 88 A HA -0.195 4.134 4.320 0.015 0.000 0.215 88 A C 2.240 179.871 177.584 0.077 0.000 1.195 88 A CA 1.696 53.791 52.037 0.098 0.000 0.616 88 A CB -1.686 17.217 19.000 -0.162 0.000 0.832 88 A HN 0.080 nan 8.150 nan 0.000 0.443 89 I N -0.592 120.033 120.570 0.092 0.000 2.145 89 I HA -0.296 3.883 4.170 0.015 0.000 0.244 89 I C 2.526 178.679 176.117 0.060 0.000 1.075 89 I CA 1.875 63.217 61.300 0.070 0.000 1.332 89 I CB -0.440 37.596 38.000 0.060 0.000 1.033 89 I HN 0.259 nan 8.210 nan 0.000 0.410 90 E N 0.474 120.714 120.200 0.066 0.000 2.150 90 E HA -0.174 4.185 4.350 0.015 0.000 0.193 90 E C 1.840 178.468 176.600 0.046 0.000 0.985 90 E CA 0.734 57.164 56.400 0.051 0.000 0.814 90 E CB -0.328 29.400 29.700 0.047 0.000 0.752 90 E HN 0.293 nan 8.360 nan 0.000 0.466 91 L N 0.056 121.307 121.223 0.046 0.000 2.017 91 L HA -0.184 4.165 4.340 0.015 0.000 0.208 91 L C 1.907 178.806 176.870 0.049 0.000 1.073 91 L CA 1.816 56.679 54.840 0.039 0.000 0.745 91 L CB -0.734 41.341 42.059 0.027 0.000 0.894 91 L HN 0.176 nan 8.230 nan 0.000 0.432 92 C N -0.537 118.790 119.300 0.045 0.000 2.448 92 C HA -0.016 4.453 4.460 0.015 0.000 0.280 92 C C 2.735 177.752 174.990 0.045 0.000 1.398 92 C CA 0.160 59.205 59.018 0.045 0.000 1.774 92 C CB -1.249 26.517 27.740 0.042 0.000 1.888 92 C HN 0.477 nan 8.230 nan 0.000 0.519 93 R N 1.367 121.894 120.500 0.045 0.000 2.081 93 R HA -0.095 4.254 4.340 0.015 0.000 0.235 93 R C 2.253 178.584 176.300 0.052 0.000 1.131 93 R CA 1.133 57.259 56.100 0.043 0.000 0.960 93 R CB -0.126 30.198 30.300 0.040 0.000 0.856 93 R HN 0.585 nan 8.270 nan 0.000 0.436 94 K N 0.273 120.710 120.400 0.061 0.000 2.031 94 K HA -0.107 4.222 4.320 0.015 0.000 0.205 94 K C 2.129 178.795 176.600 0.109 0.000 1.049 94 K CA 0.708 57.044 56.287 0.082 0.000 0.939 94 K CB -0.292 32.255 32.500 0.077 0.000 0.717 94 K HN 0.027 nan 8.250 nan 0.000 0.438 95 L N 1.265 122.552 121.223 0.108 0.000 1.971 95 L HA -0.205 4.144 4.340 0.015 0.000 0.215 95 L C 2.465 179.368 176.870 0.056 0.000 1.072 95 L CA 1.464 56.371 54.840 0.112 0.000 0.758 95 L CB -0.986 41.125 42.059 0.086 0.000 0.889 95 L HN -0.093 nan 8.230 nan 0.000 0.433 96 V N -0.456 119.479 119.914 0.035 0.000 2.287 96 V HA -0.321 3.809 4.120 0.015 0.000 0.248 96 V C 2.687 178.793 176.094 0.020 0.000 1.053 96 V CA 1.707 64.013 62.300 0.010 0.000 1.027 96 V CB -1.289 30.541 31.823 0.011 0.000 0.646 96 V HN 0.547 nan 8.190 nan 0.000 0.447 97 A N 0.737 123.584 122.820 0.045 0.000 1.933 97 A HA -0.238 4.091 4.320 0.015 0.000 0.218 97 A C 2.248 179.878 177.584 0.076 0.000 1.175 97 A CA 2.374 54.443 52.037 0.054 0.000 0.628 97 A CB -0.484 18.553 19.000 0.062 0.000 0.814 97 A HN 0.704 nan 8.150 nan 0.000 0.444 98 M N -0.796 118.872 119.600 0.114 0.000 2.514 98 M HA 0.092 4.581 4.480 0.015 0.000 0.258 98 M C 0.773 177.183 176.300 0.182 0.000 1.119 98 M CA 1.032 56.446 55.300 0.191 0.000 1.111 98 M CB -0.700 32.075 32.600 0.293 0.000 1.390 98 M HN 0.301 nan 8.290 nan 0.000 0.475 99 T N -0.474 114.089 114.554 0.015 0.000 2.912 99 T HA 0.600 4.959 4.350 0.015 0.000 0.280 99 T C -2.684 171.959 174.700 -0.094 0.000 0.989 99 T CA -1.789 60.205 62.100 -0.176 0.000 0.995 99 T CB 0.580 69.238 68.868 -0.350 0.000 1.077 99 T HN -0.011 nan 8.240 nan 0.000 0.531 100 P HA 0.054 nan 4.420 nan 0.000 0.266 100 P C 0.775 178.040 177.300 -0.059 0.000 1.186 100 P CA -0.064 62.996 63.100 -0.066 0.000 0.767 100 P CB 0.356 32.007 31.700 -0.081 0.000 0.820 101 Q N 4.503 124.283 119.800 -0.033 0.000 2.082 101 Q HA -0.212 4.137 4.340 0.015 0.000 0.211 101 Q C -0.687 175.292 176.000 -0.035 0.000 1.002 101 Q CA 1.883 57.671 55.803 -0.025 0.000 0.868 101 Q CB -2.516 26.214 28.738 -0.015 0.000 0.931 101 Q HN 0.490 nan 8.270 nan 0.000 0.414 102 P HA -0.076 nan 4.420 nan 0.000 0.225 102 P C -0.312 176.953 177.300 -0.059 0.000 1.148 102 P CA 0.938 64.010 63.100 -0.046 0.000 0.779 102 P CB 0.080 31.751 31.700 -0.048 0.000 0.780 103 L N 0.986 122.164 121.223 -0.074 0.000 2.385 103 L HA 0.117 4.466 4.340 0.015 0.000 0.285 103 L C 0.865 177.696 176.870 -0.065 0.000 1.125 103 L CA 0.243 55.030 54.840 -0.088 0.000 0.890 103 L CB -0.087 41.894 42.059 -0.131 0.000 1.251 103 L HN 0.081 nan 8.230 nan 0.000 0.445 104 E N 0.474 120.644 120.200 -0.050 0.000 2.743 104 E HA 0.193 4.552 4.350 0.015 0.000 0.222 104 E C -0.487 176.101 176.600 -0.019 0.000 0.959 104 E CA -0.371 56.012 56.400 -0.029 0.000 1.198 104 E CB 0.363 30.051 29.700 -0.020 0.000 1.100 104 E HN 0.325 nan 8.360 nan 0.000 0.518 105 C N 1.560 120.844 119.300 -0.026 0.000 2.319 105 C HA 0.657 5.126 4.460 0.015 0.000 0.323 105 C C -0.046 174.948 174.990 0.007 0.000 1.277 105 C CA -0.747 58.267 59.018 -0.006 0.000 1.517 105 C CB 0.891 28.624 27.740 -0.013 0.000 2.206 105 C HN 0.228 nan 8.230 nan 0.000 0.486 106 V N 3.520 123.458 119.914 0.040 0.000 2.448 106 V HA 0.448 4.577 4.120 0.015 0.000 0.295 106 V C -0.644 175.525 176.094 0.124 0.000 1.025 106 V CA -0.411 61.925 62.300 0.060 0.000 0.859 106 V CB 1.505 33.352 31.823 0.040 0.000 0.988 106 V HN 0.732 nan 8.190 nan 0.000 0.431 107 F N 5.619 125.567 119.950 -0.002 0.000 2.375 107 F HA 0.625 5.160 4.527 0.014 0.000 0.361 107 F C -0.143 175.676 175.800 0.032 0.000 1.117 107 F CA -0.628 57.399 58.000 0.045 0.000 1.037 107 F CB 0.970 39.995 39.000 0.041 0.000 1.192 107 F HN 0.337 nan 8.300 nan 0.000 0.452 108 L N 6.309 127.426 121.223 -0.176 0.000 2.331 108 L HA 0.671 5.020 4.340 0.015 0.000 0.278 108 L C 0.225 177.064 176.870 -0.051 0.000 1.106 108 L CA -0.209 54.562 54.840 -0.114 0.000 0.824 108 L CB 0.590 42.511 42.059 -0.231 0.000 1.142 108 L HN 0.734 nan 8.230 nan 0.000 0.443 109 A N 1.917 124.775 122.820 0.064 0.000 2.504 109 A HA 0.595 4.924 4.320 0.015 0.000 0.285 109 A C -0.358 177.265 177.584 0.065 0.000 1.261 109 A CA -0.496 51.610 52.037 0.115 0.000 0.741 109 A CB 1.056 20.162 19.000 0.178 0.000 1.327 109 A HN 0.743 nan 8.150 nan 0.000 0.441 110 D N -0.221 120.224 120.400 0.076 0.000 2.277 110 D HA 0.214 4.863 4.640 0.015 0.000 0.209 110 D C 0.822 177.139 176.300 0.027 0.000 0.970 110 D CA 1.180 55.205 54.000 0.043 0.000 0.874 110 D CB 0.113 40.947 40.800 0.056 0.000 0.982 110 D HN 0.615 nan 8.370 nan 0.000 0.504 111 S N -1.645 114.075 115.700 0.034 0.000 2.671 111 S HA 0.593 5.072 4.470 0.015 0.000 0.277 111 S C 1.191 175.799 174.600 0.013 0.000 1.165 111 S CA -0.569 57.645 58.200 0.023 0.000 0.822 111 S CB 1.329 64.541 63.200 0.019 0.000 1.150 111 S HN 0.020 nan 8.310 nan 0.000 0.479 112 G N 1.315 110.118 108.800 0.005 0.000 2.453 112 G HA2 -0.117 3.852 3.960 0.015 0.000 0.215 112 G HA3 -0.117 3.852 3.960 0.015 0.000 0.215 112 G C 1.382 176.254 174.900 -0.047 0.000 1.201 112 G CA 1.159 46.248 45.100 -0.020 0.000 0.784 112 G HN 0.752 nan 8.290 nan 0.000 0.545 113 S N -0.127 115.541 115.700 -0.054 0.000 2.372 113 S HA -0.178 4.302 4.470 0.015 0.000 0.227 113 S C 2.519 177.083 174.600 -0.060 0.000 1.044 113 S CA 1.493 59.646 58.200 -0.078 0.000 1.050 113 S CB -0.376 62.784 63.200 -0.067 0.000 0.901 113 S HN 0.192 nan 8.310 nan 0.000 0.447 114 V N 1.685 121.584 119.914 -0.025 0.000 2.358 114 V HA -0.167 3.963 4.120 0.015 0.000 0.246 114 V C 2.603 178.664 176.094 -0.054 0.000 1.047 114 V CA 1.579 63.873 62.300 -0.010 0.000 1.035 114 V CB -1.252 30.597 31.823 0.043 0.000 0.658 114 V HN 0.549 nan 8.190 nan 0.000 0.452 115 A N -0.153 122.646 122.820 -0.036 0.000 1.940 115 A HA -0.180 4.149 4.320 0.015 0.000 0.219 115 A C 2.369 179.895 177.584 -0.096 0.000 1.176 115 A CA 2.186 54.195 52.037 -0.047 0.000 0.631 115 A CB -0.668 18.318 19.000 -0.022 0.000 0.814 115 A HN 0.360 nan 8.150 nan 0.000 0.446 116 V N 0.217 120.067 119.914 -0.107 0.000 2.548 116 V HA -0.160 3.969 4.120 0.015 0.000 0.249 116 V C 2.300 178.296 176.094 -0.163 0.000 1.055 116 V CA 1.800 64.008 62.300 -0.153 0.000 1.065 116 V CB -0.622 31.099 31.823 -0.170 0.000 0.681 116 V HN 0.556 nan 8.190 nan 0.000 0.462 117 E N -0.100 120.026 120.200 -0.123 0.000 2.274 117 E HA -0.105 4.254 4.350 0.015 0.000 0.194 117 E C 2.229 178.778 176.600 -0.085 0.000 0.996 117 E CA 0.885 57.232 56.400 -0.088 0.000 0.840 117 E CB 0.011 29.702 29.700 -0.016 0.000 0.772 117 E HN 0.488 nan 8.360 nan 0.000 0.491 118 V N 1.326 121.143 119.914 -0.162 0.000 2.407 118 V HA -0.146 3.983 4.120 0.015 0.000 0.245 118 V C 2.411 178.463 176.094 -0.071 0.000 1.041 118 V CA 1.513 63.723 62.300 -0.149 0.000 1.040 118 V CB -0.552 31.102 31.823 -0.281 0.000 0.671 118 V HN 0.215 nan 8.190 nan 0.000 0.455 119 A N -0.223 122.520 122.820 -0.130 0.000 1.902 119 A HA -0.252 4.077 4.320 0.015 0.000 0.217 119 A C 2.235 179.783 177.584 -0.060 0.000 1.181 119 A CA 2.276 54.232 52.037 -0.136 0.000 0.623 119 A CB -0.478 18.427 19.000 -0.157 0.000 0.818 119 A HN 0.490 nan 8.150 nan 0.000 0.443 120 M N -0.899 118.654 119.600 -0.078 0.000 2.117 120 M HA -0.155 4.334 4.480 0.015 0.000 0.262 120 M C 2.164 178.586 176.300 0.204 0.000 1.065 120 M CA 1.779 57.071 55.300 -0.013 0.000 1.114 120 M CB -0.336 32.067 32.600 -0.329 0.000 1.361 120 M HN 0.294 nan 8.290 nan 0.000 0.408 121 K N 0.070 120.565 120.400 0.158 0.000 2.097 121 K HA -0.044 4.285 4.320 0.015 0.000 0.205 121 K C 1.910 178.715 176.600 0.341 0.000 1.050 121 K CA 1.243 57.681 56.287 0.251 0.000 0.938 121 K CB -0.115 32.536 32.500 0.252 0.000 0.718 121 K HN 0.346 nan 8.250 nan 0.000 0.442 122 M N 0.226 119.963 119.600 0.228 0.000 2.117 122 M HA -0.164 4.325 4.480 0.015 0.000 0.262 122 M C 2.428 178.772 176.300 0.073 0.000 1.065 122 M CA 1.660 56.963 55.300 0.004 0.000 1.114 122 M CB -0.394 32.000 32.600 -0.345 0.000 1.361 122 M HN 0.180 nan 8.290 nan 0.000 0.408 123 A N 0.610 123.495 122.820 0.108 0.000 1.902 123 A HA -0.111 4.218 4.320 0.015 0.000 0.217 123 A C 2.124 179.883 177.584 0.291 0.000 1.181 123 A CA 1.438 53.571 52.037 0.159 0.000 0.623 123 A CB -0.888 18.265 19.000 0.255 0.000 0.818 123 A HN 0.452 nan 8.150 nan 0.000 0.443 124 L N -1.220 120.171 121.223 0.279 0.000 2.072 124 L HA -0.173 4.177 4.340 0.015 0.000 0.205 124 L C 2.854 179.861 176.870 0.228 0.000 1.079 124 L CA 1.279 56.267 54.840 0.246 0.000 0.752 124 L CB -0.519 41.663 42.059 0.205 0.000 0.906 124 L HN 0.458 nan 8.230 nan 0.000 0.436 125 Q N -0.861 119.062 119.800 0.205 0.000 2.226 125 Q HA -0.247 4.102 4.340 0.015 0.000 0.204 125 Q C 2.109 178.177 176.000 0.114 0.000 0.975 125 Q CA 1.626 57.525 55.803 0.161 0.000 0.866 125 Q CB -0.087 28.776 28.738 0.208 0.000 0.915 125 Q HN 0.496 nan 8.270 nan 0.000 0.440 126 Y N -0.975 119.294 120.300 -0.053 0.000 2.181 126 Y HA -0.250 4.311 4.550 0.018 0.000 0.288 126 Y C 1.297 177.011 175.900 -0.309 0.000 1.146 126 Y CA 1.714 59.664 58.100 -0.251 0.000 1.164 126 Y CB -0.283 37.921 38.460 -0.426 0.000 0.982 126 Y HN 0.122 nan 8.280 nan 0.000 0.515 127 W N 0.453 121.820 121.300 0.112 0.000 2.658 127 W HA -0.041 4.627 4.660 0.013 0.000 0.263 127 W C 2.368 178.865 176.519 -0.037 0.000 1.274 127 W CA 0.773 58.128 57.345 0.017 0.000 1.343 127 W CB -0.182 29.307 29.460 0.048 0.000 1.106 127 W HN 0.131 nan 8.180 nan 0.000 0.615 128 D N 0.736 121.234 120.400 0.163 0.000 2.178 128 D HA -0.144 4.505 4.640 0.015 0.000 0.202 128 D C 2.048 178.356 176.300 0.014 0.000 0.974 128 D CA 1.580 55.628 54.000 0.081 0.000 0.841 128 D CB 0.008 40.847 40.800 0.067 0.000 0.953 128 D HN 0.132 nan 8.370 nan 0.000 0.478 129 A N 0.326 123.115 122.820 -0.053 0.000 2.067 129 A HA -0.036 4.293 4.320 0.015 0.000 0.217 129 A C 2.131 179.635 177.584 -0.133 0.000 1.156 129 A CA 0.664 52.639 52.037 -0.105 0.000 0.683 129 A CB -0.200 18.706 19.000 -0.157 0.000 0.808 129 A HN 0.117 nan 8.150 nan 0.000 0.455 130 K N -1.479 118.834 120.400 -0.145 0.000 2.374 130 K HA 0.233 4.562 4.320 0.015 0.000 0.196 130 K C 0.909 177.510 176.600 0.002 0.000 1.023 130 K CA 0.492 56.709 56.287 -0.116 0.000 1.103 130 K CB 0.065 32.444 32.500 -0.201 0.000 0.848 130 K HN 0.570 nan 8.250 nan 0.000 0.528 131 G N 1.774 110.589 108.800 0.026 0.000 2.148 131 G HA2 -0.280 3.689 3.960 0.015 0.000 0.254 131 G HA3 -0.280 3.689 3.960 0.015 0.000 0.254 131 G C -0.196 174.748 174.900 0.073 0.000 0.981 131 G CA 0.299 45.423 45.100 0.040 0.000 0.670 131 G HN 0.387 nan 8.290 nan 0.000 0.528 132 E N -0.004 120.282 120.200 0.143 0.000 2.277 132 E HA 0.687 5.047 4.350 0.015 0.000 0.274 132 E C 0.493 177.143 176.600 0.083 0.000 1.022 132 E CA 0.157 56.648 56.400 0.150 0.000 0.853 132 E CB 1.122 31.024 29.700 0.336 0.000 1.086 132 E HN 0.661 nan 8.360 nan 0.000 0.397 133 A N 4.989 127.804 122.820 -0.010 0.000 3.016 133 A HA 0.308 4.637 4.320 0.015 0.000 0.303 133 A C -0.540 176.957 177.584 -0.145 0.000 1.507 133 A CA -0.393 51.618 52.037 -0.043 0.000 1.196 133 A CB -0.141 18.843 19.000 -0.028 0.000 1.169 133 A HN 0.497 nan 8.150 nan 0.000 0.544 134 R N 1.513 121.891 120.500 -0.203 0.000 2.358 134 R HA 0.345 4.694 4.340 0.015 0.000 0.309 134 R C -1.258 174.854 176.300 -0.313 0.000 1.026 134 R CA -0.489 55.370 56.100 -0.403 0.000 0.909 134 R CB 1.246 31.010 30.300 -0.894 0.000 1.153 134 R HN 0.368 nan 8.270 nan 0.000 0.515 135 D N 0.923 121.158 120.400 -0.276 0.000 2.433 135 D HA 0.079 4.728 4.640 0.015 0.000 0.211 135 D C 0.230 176.316 176.300 -0.356 0.000 1.114 135 D CA 0.114 53.972 54.000 -0.237 0.000 0.837 135 D CB 0.639 41.373 40.800 -0.109 0.000 0.984 135 D HN 0.132 nan 8.370 nan 0.000 0.505 136 R N 0.168 120.408 120.500 -0.433 0.000 2.536 136 R HA 0.531 4.880 4.340 0.015 0.000 0.279 136 R C -0.660 175.285 176.300 -0.593 0.000 1.001 136 R CA -0.528 55.346 56.100 -0.376 0.000 1.027 136 R CB 1.153 31.286 30.300 -0.277 0.000 1.096 136 R HN -0.115 nan 8.270 nan 0.000 0.502 137 F N 1.472 121.300 119.950 -0.204 0.000 2.495 137 F HA 0.422 4.958 4.527 0.013 0.000 0.327 137 F C 0.041 175.666 175.800 -0.292 0.000 1.103 137 F CA -0.785 57.083 58.000 -0.220 0.000 0.949 137 F CB 1.412 40.288 39.000 -0.205 0.000 1.142 137 F HN 0.152 nan 8.300 nan 0.000 0.457 138 L N 2.565 123.725 121.223 -0.106 0.000 2.296 138 L HA 0.735 5.084 4.340 0.015 0.000 0.286 138 L C -0.356 176.421 176.870 -0.155 0.000 1.023 138 L CA 0.090 54.806 54.840 -0.208 0.000 0.812 138 L CB 1.632 43.533 42.059 -0.264 0.000 1.223 138 L HN 0.745 nan 8.230 nan 0.000 0.421 139 T N 3.510 117.954 114.554 -0.183 0.000 2.853 139 T HA 0.454 4.813 4.350 0.015 0.000 0.311 139 T C -0.697 174.070 174.700 0.111 0.000 1.307 139 T CA -0.500 61.539 62.100 -0.103 0.000 1.019 139 T CB 0.658 69.464 68.868 -0.104 0.000 1.264 139 T HN 0.284 nan 8.240 nan 0.000 0.497 140 F N 2.390 122.370 119.950 0.050 0.000 2.450 140 F HA 0.432 4.965 4.527 0.010 0.000 0.339 140 F C 1.737 177.602 175.800 0.108 0.000 1.146 140 F CA -1.160 56.849 58.000 0.015 0.000 1.267 140 F CB 0.736 39.652 39.000 -0.140 0.000 1.178 140 F HN 0.297 nan 8.300 nan 0.000 0.585 141 R N 1.014 121.686 120.500 0.287 0.000 2.726 141 R HA 0.041 4.390 4.340 0.015 0.000 0.272 141 R C 0.634 177.015 176.300 0.135 0.000 1.097 141 R CA -0.262 55.958 56.100 0.200 0.000 1.198 141 R CB 0.149 30.504 30.300 0.092 0.000 1.114 141 R HN 0.775 nan 8.270 nan 0.000 0.550 142 N N -1.405 117.349 118.700 0.091 0.000 2.863 142 N HA -0.140 4.610 4.740 0.015 0.000 0.245 142 N C -0.078 175.486 175.510 0.090 0.000 1.001 142 N CA 1.234 54.327 53.050 0.073 0.000 0.901 142 N CB -0.659 37.860 38.487 0.054 0.000 1.124 142 N HN 0.819 nan 8.380 nan 0.000 0.582 143 G N -0.530 108.341 108.800 0.117 0.000 2.476 143 G HA2 0.472 4.441 3.960 0.015 0.000 0.286 143 G HA3 0.472 4.441 3.960 0.015 0.000 0.286 143 G C -1.124 173.779 174.900 0.004 0.000 1.177 143 G CA -0.244 44.875 45.100 0.031 0.000 0.870 143 G HN 0.249 nan 8.290 nan 0.000 0.528 144 Y N 0.065 120.149 120.300 -0.360 0.000 2.406 144 Y HA 0.475 5.033 4.550 0.014 0.000 0.340 144 Y C 0.157 175.736 175.900 -0.534 0.000 0.975 144 Y CA -0.867 57.047 58.100 -0.309 0.000 1.056 144 Y CB 1.835 40.166 38.460 -0.215 0.000 1.210 144 Y HN 0.612 nan 8.280 nan 0.000 0.448 145 H N 3.707 122.345 119.070 -0.720 0.000 3.230 145 H HA 0.427 4.991 4.556 0.013 0.000 0.259 145 H C 0.333 175.265 175.328 -0.660 0.000 1.195 145 H CA 0.477 56.196 56.048 -0.548 0.000 1.112 145 H CB 1.288 30.866 29.762 -0.307 0.000 1.638 145 H HN 0.902 nan 8.280 nan 0.000 0.624 146 G N 0.402 108.560 108.800 -1.070 0.000 2.353 146 G HA2 -0.129 3.840 3.960 0.015 0.000 0.424 146 G HA3 -0.129 3.840 3.960 0.015 0.000 0.424 146 G C -0.893 173.820 174.900 -0.312 0.000 1.320 146 G CA -0.425 44.345 45.100 -0.549 0.000 0.995 146 G HN 0.047 nan 8.290 nan 0.000 0.580 147 D N -0.143 120.199 120.400 -0.097 0.000 2.441 147 D HA 0.225 4.874 4.640 0.015 0.000 0.210 147 D C 1.691 177.877 176.300 -0.189 0.000 1.102 147 D CA 1.148 55.124 54.000 -0.039 0.000 0.840 147 D CB 0.626 41.452 40.800 0.043 0.000 0.990 147 D HN 0.749 nan 8.370 nan 0.000 0.505 148 T N -2.667 111.784 114.554 -0.172 0.000 2.882 148 T HA 0.212 4.571 4.350 0.015 0.000 0.287 148 T C 1.507 176.094 174.700 -0.189 0.000 1.014 148 T CA -0.603 61.378 62.100 -0.198 0.000 1.049 148 T CB 0.727 69.541 68.868 -0.090 0.000 1.001 148 T HN -0.114 nan 8.240 nan 0.000 0.525 149 F N 1.329 121.177 119.950 -0.170 0.000 2.032 149 F HA -0.100 4.436 4.527 0.015 0.000 0.297 149 F C 2.896 178.603 175.800 -0.155 0.000 1.125 149 F CA 1.824 59.717 58.000 -0.177 0.000 1.202 149 F CB -0.853 38.094 39.000 -0.088 0.000 0.958 149 F HN 0.833 nan 8.300 nan 0.000 0.491 150 G N -0.920 107.930 108.800 0.083 0.000 2.446 150 G HA2 -0.251 3.718 3.960 0.015 0.000 0.217 150 G HA3 -0.251 3.718 3.960 0.015 0.000 0.217 150 G C 1.703 176.530 174.900 -0.122 0.000 1.168 150 G CA 0.849 45.922 45.100 -0.045 0.000 0.771 150 G HN 0.509 nan 8.290 nan 0.000 0.551 151 A N 0.342 123.088 122.820 -0.122 0.000 1.969 151 A HA 0.147 4.476 4.320 0.015 0.000 0.218 151 A C 2.428 179.954 177.584 -0.096 0.000 1.169 151 A CA 1.497 53.443 52.037 -0.152 0.000 0.635 151 A CB -0.321 18.581 19.000 -0.164 0.000 0.810 151 A HN 0.381 nan 8.150 nan 0.000 0.445 152 M N 0.536 120.083 119.600 -0.087 0.000 2.202 152 M HA -0.168 4.321 4.480 0.015 0.000 0.262 152 M C 2.320 178.655 176.300 0.058 0.000 1.063 152 M CA 1.745 57.013 55.300 -0.052 0.000 1.097 152 M CB -0.433 32.039 32.600 -0.212 0.000 1.382 152 M HN 0.639 nan 8.290 nan 0.000 0.413 153 S N -0.033 115.687 115.700 0.033 0.000 2.500 153 S HA -0.037 4.442 4.470 0.015 0.000 0.239 153 S C 1.194 175.917 174.600 0.205 0.000 0.989 153 S CA 0.962 59.230 58.200 0.114 0.000 0.951 153 S CB -0.640 62.569 63.200 0.015 0.000 0.759 153 S HN 0.459 nan 8.310 nan 0.000 0.523 154 V N -2.566 117.440 119.914 0.154 0.000 3.166 154 V HA 0.490 4.619 4.120 0.015 0.000 0.332 154 V C 0.387 176.683 176.094 0.335 0.000 1.434 154 V CA -1.150 61.241 62.300 0.152 0.000 1.121 154 V CB -1.336 30.425 31.823 -0.103 0.000 1.062 154 V HN 0.457 nan 8.190 nan 0.000 0.489 155 C N 1.289 120.805 119.300 0.360 0.000 2.443 155 C HA 0.482 4.951 4.460 0.015 0.000 0.369 155 C C 0.735 175.900 174.990 0.292 0.000 1.241 155 C CA -0.047 59.163 59.018 0.320 0.000 2.413 155 C CB 0.707 28.643 27.740 0.327 0.000 2.451 155 C HN 0.702 nan 8.230 nan 0.000 0.595 156 D N 2.167 122.665 120.400 0.164 0.000 2.479 156 D HA 0.053 4.702 4.640 0.015 0.000 0.257 156 D C -1.487 174.634 176.300 -0.298 0.000 1.230 156 D CA -0.625 53.362 54.000 -0.021 0.000 0.912 156 D CB 0.647 41.457 40.800 0.016 0.000 1.130 156 D HN 0.263 nan 8.370 nan 0.000 0.515 157 P HA -0.160 nan 4.420 nan 0.000 0.217 157 P C 0.409 177.426 177.300 -0.472 0.000 1.148 157 P CA 1.037 63.398 63.100 -1.231 0.000 0.834 157 P CB 0.251 31.352 31.700 -0.998 0.000 0.783 158 D N -1.884 118.362 120.400 -0.257 0.000 2.197 158 D HA -0.051 4.598 4.640 0.015 0.000 0.212 158 D C 1.689 177.987 176.300 -0.003 0.000 0.963 158 D CA 0.730 54.675 54.000 -0.091 0.000 0.864 158 D CB -0.992 39.762 40.800 -0.077 0.000 1.009 158 D HN 0.031 nan 8.370 nan 0.000 0.479 159 N N 1.061 119.764 118.700 0.005 0.000 2.060 159 N HA -0.093 4.656 4.740 0.015 0.000 0.195 159 N C 0.538 176.126 175.510 0.131 0.000 1.028 159 N CA 0.736 53.828 53.050 0.070 0.000 0.861 159 N CB -0.374 38.153 38.487 0.066 0.000 1.029 159 N HN 0.026 nan 8.380 nan 0.000 0.428 160 S N 0.799 116.604 115.700 0.174 0.000 2.610 160 S HA 0.323 4.802 4.470 0.015 0.000 0.273 160 S C 0.620 175.459 174.600 0.397 0.000 1.274 160 S CA -0.464 57.946 58.200 0.351 0.000 1.023 160 S CB 1.220 64.731 63.200 0.517 0.000 0.962 160 S HN 0.110 nan 8.310 nan 0.000 0.523 161 M N 2.985 122.843 119.600 0.430 0.000 3.117 161 M HA 0.194 4.683 4.480 0.015 0.000 0.292 161 M C 0.499 176.958 176.300 0.264 0.000 1.357 161 M CA -0.052 55.394 55.300 0.243 0.000 1.463 161 M CB -0.547 32.096 32.600 0.071 0.000 1.105 161 M HN 0.767 nan 8.290 nan 0.000 0.553 162 H N 0.256 119.431 119.070 0.174 0.000 2.545 162 H HA -0.070 4.495 4.556 0.015 0.000 0.282 162 H C 1.996 177.391 175.328 0.112 0.000 1.020 162 H CA 1.285 57.487 56.048 0.258 0.000 1.243 162 H CB 0.450 30.321 29.762 0.183 0.000 1.377 162 H HN 0.670 nan 8.280 nan 0.000 0.581 163 S N 0.796 116.560 115.700 0.107 0.000 2.383 163 S HA -0.093 4.387 4.470 0.015 0.000 0.227 163 S C 2.144 176.682 174.600 -0.105 0.000 1.026 163 S CA 0.342 58.552 58.200 0.016 0.000 0.981 163 S CB -0.579 62.618 63.200 -0.006 0.000 0.818 163 S HN 0.316 nan 8.310 nan 0.000 0.472 164 L N -0.636 120.394 121.223 -0.321 0.000 2.081 164 L HA -0.087 4.262 4.340 0.015 0.000 0.212 164 L C 1.506 177.998 176.870 -0.630 0.000 1.080 164 L CA 1.493 55.935 54.840 -0.662 0.000 0.754 164 L CB -0.590 40.767 42.059 -1.170 0.000 0.893 164 L HN 0.563 nan 8.230 nan 0.000 0.433 165 W N -0.219 121.133 121.300 0.086 0.000 2.862 165 W HA 0.204 4.873 4.660 0.015 0.000 0.426 165 W C 0.763 177.356 176.519 0.122 0.000 0.950 165 W CA -0.905 56.511 57.345 0.118 0.000 2.150 165 W CB -0.142 29.405 29.460 0.144 0.000 1.161 165 W HN -0.174 nan 8.180 nan 0.000 0.696 166 K N 1.847 122.369 120.400 0.204 0.000 2.437 166 K HA 0.194 4.523 4.320 0.015 0.000 0.277 166 K C 0.930 177.639 176.600 0.182 0.000 1.073 166 K CA 1.824 58.216 56.287 0.174 0.000 1.105 166 K CB 0.168 32.730 32.500 0.103 0.000 0.881 166 K HN 0.459 nan 8.250 nan 0.000 0.475 167 G N 4.782 113.690 108.800 0.181 0.000 3.211 167 G HA2 -0.370 3.599 3.960 0.015 0.000 0.206 167 G HA3 -0.370 3.599 3.960 0.015 0.000 0.206 167 G C 0.797 175.785 174.900 0.147 0.000 1.418 167 G CA 0.200 45.388 45.100 0.147 0.000 0.958 167 G HN 0.600 nan 8.290 nan 0.000 0.567 168 Y N 1.613 121.958 120.300 0.074 0.000 2.081 168 Y HA 0.177 4.736 4.550 0.015 0.000 0.280 168 Y C 1.609 177.473 175.900 -0.060 0.000 1.163 168 Y CA 1.653 59.744 58.100 -0.016 0.000 1.135 168 Y CB -0.189 38.273 38.460 0.002 0.000 0.970 168 Y HN 0.272 nan 8.280 nan 0.000 0.498 169 L N 3.379 124.707 121.223 0.175 0.000 2.513 169 L HA 0.092 4.441 4.340 0.015 0.000 0.272 169 L C -2.053 174.847 176.870 0.051 0.000 1.187 169 L CA -1.943 52.951 54.840 0.089 0.000 0.895 169 L CB -0.215 41.924 42.059 0.134 0.000 1.147 169 L HN 0.090 nan 8.230 nan 0.000 0.483 170 P HA 0.042 nan 4.420 nan 0.000 0.268 170 P C -0.386 176.982 177.300 0.113 0.000 1.204 170 P CA -0.222 62.898 63.100 0.034 0.000 0.768 170 P CB 0.644 32.356 31.700 0.020 0.000 0.842 171 E N 3.359 123.629 120.200 0.117 0.000 2.105 171 E HA 0.146 4.505 4.350 0.015 0.000 0.285 171 E C -0.237 176.431 176.600 0.113 0.000 1.055 171 E CA -0.227 56.280 56.400 0.179 0.000 0.843 171 E CB 0.465 30.261 29.700 0.160 0.000 1.067 171 E HN 0.384 nan 8.360 nan 0.000 0.398 172 N N 2.760 121.518 118.700 0.097 0.000 2.671 172 N HA 0.417 5.167 4.740 0.015 0.000 0.303 172 N C -0.287 175.018 175.510 -0.341 0.000 1.277 172 N CA -0.569 52.386 53.050 -0.158 0.000 0.933 172 N CB 0.955 39.290 38.487 -0.253 0.000 1.190 172 N HN 0.312 nan 8.380 nan 0.000 0.600 173 L N 1.244 122.186 121.223 -0.468 0.000 2.276 173 L HA 0.420 4.769 4.340 0.015 0.000 0.286 173 L C -0.829 175.726 176.870 -0.525 0.000 1.061 173 L CA -0.336 54.254 54.840 -0.417 0.000 0.807 173 L CB 0.130 41.927 42.059 -0.435 0.000 1.177 173 L HN 0.295 nan 8.230 nan 0.000 0.429 174 F N 2.165 122.079 119.950 -0.061 0.000 2.382 174 F HA 0.550 5.086 4.527 0.015 0.000 0.361 174 F C 0.669 176.473 175.800 0.006 0.000 1.109 174 F CA -0.592 57.405 58.000 -0.005 0.000 1.031 174 F CB 1.353 40.355 39.000 0.004 0.000 1.234 174 F HN 0.488 nan 8.300 nan 0.000 0.445 175 A N 4.749 127.676 122.820 0.178 0.000 2.332 175 A HA 0.658 4.987 4.320 0.015 0.000 0.258 175 A C -2.349 175.319 177.584 0.139 0.000 1.087 175 A CA -1.489 50.654 52.037 0.177 0.000 0.802 175 A CB -0.032 19.170 19.000 0.336 0.000 1.042 175 A HN 0.424 nan 8.150 nan 0.000 0.489 176 P HA 0.224 nan 4.420 nan 0.000 0.271 176 P C -0.247 176.989 177.300 -0.107 0.000 1.238 176 P CA 0.254 63.359 63.100 0.010 0.000 0.794 176 P CB 0.338 32.049 31.700 0.018 0.000 0.959 177 A N 2.369 125.126 122.820 -0.106 0.000 2.440 177 A HA 0.345 4.674 4.320 0.015 0.000 0.251 177 A C -2.022 175.369 177.584 -0.323 0.000 1.089 177 A CA -1.113 50.805 52.037 -0.199 0.000 0.779 177 A CB -1.345 17.605 19.000 -0.083 0.000 1.022 177 A HN 0.391 nan 8.150 nan 0.000 0.492 178 P HA 0.028 nan 4.420 nan 0.000 0.260 178 P C 0.490 177.713 177.300 -0.128 0.000 1.207 178 P CA 0.283 62.992 63.100 -0.652 0.000 0.780 178 P CB 0.473 31.496 31.700 -1.129 0.000 0.789 179 Q N 1.297 121.112 119.800 0.025 0.000 2.049 179 Q HA -0.022 4.327 4.340 0.015 0.000 0.198 179 Q C 0.306 176.384 176.000 0.130 0.000 0.971 179 Q CA 1.082 56.921 55.803 0.059 0.000 0.833 179 Q CB -0.081 28.675 28.738 0.029 0.000 0.896 179 Q HN 0.484 nan 8.270 nan 0.000 0.434 180 S N 1.348 117.180 115.700 0.221 0.000 2.549 180 S HA 0.142 4.621 4.470 0.015 0.000 0.283 180 S C 0.012 174.829 174.600 0.361 0.000 1.320 180 S CA -0.205 58.162 58.200 0.278 0.000 1.058 180 S CB 1.132 64.544 63.200 0.352 0.000 0.882 180 S HN 0.204 nan 8.310 nan 0.000 0.498 181 R N 1.593 122.263 120.500 0.283 0.000 2.486 181 R HA 0.338 4.687 4.340 0.015 0.000 0.286 181 R C 0.079 176.502 176.300 0.205 0.000 0.999 181 R CA -0.941 55.294 56.100 0.225 0.000 0.993 181 R CB 0.499 30.881 30.300 0.138 0.000 1.084 181 R HN 0.616 nan 8.270 nan 0.000 0.487 182 M N 4.791 124.445 119.600 0.091 0.000 2.336 182 M HA -0.132 4.358 4.480 0.015 0.000 0.371 182 M C -0.615 175.638 176.300 -0.079 0.000 1.542 182 M CA 1.199 56.456 55.300 -0.071 0.000 0.959 182 M CB -0.250 32.271 32.600 -0.131 0.000 2.033 182 M HN 0.735 nan 8.290 nan 0.000 0.472 183 D N 3.614 123.900 120.400 -0.190 0.000 3.830 183 D HA -0.098 4.551 4.640 0.015 0.000 0.247 183 D C -0.703 175.634 176.300 0.061 0.000 1.073 183 D CA 1.265 55.218 54.000 -0.079 0.000 1.116 183 D CB -1.022 39.745 40.800 -0.055 0.000 0.909 183 D HN 1.037 nan 8.370 nan 0.000 0.418 184 G N 1.972 110.886 108.800 0.191 0.000 2.494 184 G HA2 0.424 4.393 3.960 0.015 0.000 0.308 184 G HA3 0.424 4.393 3.960 0.015 0.000 0.308 184 G C -1.167 173.911 174.900 0.298 0.000 1.263 184 G CA -0.246 44.989 45.100 0.227 0.000 0.840 184 G HN 0.314 nan 8.290 nan 0.000 0.479 185 E N 0.617 120.932 120.200 0.191 0.000 2.229 185 E HA 0.125 4.484 4.350 0.015 0.000 0.283 185 E C -0.739 175.918 176.600 0.095 0.000 1.030 185 E CA -0.817 55.661 56.400 0.130 0.000 0.836 185 E CB 1.893 31.629 29.700 0.060 0.000 1.068 185 E HN 0.585 nan 8.360 nan 0.000 0.401 186 W N 4.714 125.894 121.300 -0.200 0.000 2.485 186 W HA 0.153 4.836 4.660 0.038 0.000 0.315 186 W C -1.358 175.059 176.519 -0.170 0.000 1.304 186 W CA -0.244 56.912 57.345 -0.315 0.000 1.345 186 W CB 0.790 29.973 29.460 -0.461 0.000 1.368 186 W HN 0.500 nan 8.180 nan 0.000 0.497 187 D N 4.493 124.432 120.400 -0.769 0.000 2.414 187 D HA 0.093 4.743 4.640 0.015 0.000 0.232 187 D C 0.997 176.736 176.300 -0.935 0.000 1.070 187 D CA -0.175 53.438 54.000 -0.646 0.000 0.839 187 D CB 1.372 41.967 40.800 -0.342 0.000 1.079 187 D HN 0.379 nan 8.370 nan 0.000 0.521 188 E N 1.442 121.201 120.200 -0.735 0.000 2.208 188 E HA -0.276 4.083 4.350 0.015 0.000 0.202 188 E C 1.639 177.992 176.600 -0.412 0.000 1.014 188 E CA 0.907 56.978 56.400 -0.549 0.000 0.819 188 E CB -0.004 29.545 29.700 -0.252 0.000 0.735 188 E HN 0.360 nan 8.360 nan 0.000 0.469 189 R N 0.880 121.184 120.500 -0.326 0.000 2.237 189 R HA -0.168 4.181 4.340 0.015 0.000 0.219 189 R C 1.037 177.224 176.300 -0.188 0.000 1.080 189 R CA 1.292 57.274 56.100 -0.198 0.000 0.995 189 R CB -0.119 30.098 30.300 -0.137 0.000 0.875 189 R HN 0.149 nan 8.270 nan 0.000 0.462 190 D N -0.102 120.098 120.400 -0.333 0.000 2.190 190 D HA -0.153 4.496 4.640 0.015 0.000 0.200 190 D C 0.466 176.747 176.300 -0.031 0.000 0.992 190 D CA 1.147 55.016 54.000 -0.218 0.000 0.854 190 D CB 0.158 40.635 40.800 -0.539 0.000 0.936 190 D HN 0.131 nan 8.370 nan 0.000 0.462 191 M N 0.568 120.049 119.600 -0.199 0.000 3.428 191 M HA 0.144 4.634 4.480 0.015 0.000 0.229 191 M C 0.283 176.613 176.300 0.050 0.000 1.299 191 M CA -0.048 55.206 55.300 -0.076 0.000 1.405 191 M CB 0.947 33.417 32.600 -0.217 0.000 1.119 191 M HN -0.008 nan 8.290 nan 0.000 0.613 192 V N -2.440 117.547 119.914 0.121 0.000 3.102 192 V HA 0.389 4.518 4.120 0.015 0.000 0.225 192 V C 1.808 177.995 176.094 0.155 0.000 1.301 192 V CA 0.948 63.311 62.300 0.105 0.000 1.308 192 V CB -0.824 31.027 31.823 0.047 0.000 1.129 192 V HN 0.477 nan 8.190 nan 0.000 0.502 193 G N 0.003 108.905 108.800 0.171 0.000 2.446 193 G HA2 -0.284 3.685 3.960 0.015 0.000 0.217 193 G HA3 -0.284 3.685 3.960 0.015 0.000 0.217 193 G C 1.442 176.477 174.900 0.224 0.000 1.168 193 G CA 1.510 46.712 45.100 0.168 0.000 0.771 193 G HN 0.474 nan 8.290 nan 0.000 0.551 194 F N 2.234 122.308 119.950 0.207 0.000 2.051 194 F HA 0.037 4.576 4.527 0.021 0.000 0.296 194 F C 2.952 178.873 175.800 0.202 0.000 1.122 194 F CA 1.574 59.733 58.000 0.266 0.000 1.201 194 F CB -0.478 38.841 39.000 0.531 0.000 0.978 194 F HN 0.240 nan 8.300 nan 0.000 0.472 195 A N 1.079 124.170 122.820 0.452 0.000 1.903 195 A HA -0.310 4.019 4.320 0.015 0.000 0.219 195 A C 2.205 179.883 177.584 0.157 0.000 1.191 195 A CA 2.557 54.759 52.037 0.275 0.000 0.638 195 A CB -0.992 18.123 19.000 0.193 0.000 0.823 195 A HN 0.625 nan 8.150 nan 0.000 0.451 196 R N -1.242 119.339 120.500 0.135 0.000 2.115 196 R HA 0.102 4.451 4.340 0.015 0.000 0.226 196 R C 1.712 178.072 176.300 0.100 0.000 1.100 196 R CA 1.118 57.278 56.100 0.099 0.000 0.980 196 R CB -0.476 29.877 30.300 0.089 0.000 0.875 196 R HN 0.333 nan 8.270 nan 0.000 0.445 197 L N 0.868 122.129 121.223 0.064 0.000 2.027 197 L HA -0.021 4.329 4.340 0.015 0.000 0.206 197 L C 2.501 179.405 176.870 0.056 0.000 1.074 197 L CA 1.748 56.608 54.840 0.033 0.000 0.745 197 L CB -0.843 41.136 42.059 -0.132 0.000 0.898 197 L HN 0.363 nan 8.230 nan 0.000 0.433 198 M N -0.247 119.327 119.600 -0.043 0.000 2.175 198 M HA -0.100 4.390 4.480 0.015 0.000 0.264 198 M C 2.220 178.562 176.300 0.070 0.000 1.063 198 M CA 1.756 57.051 55.300 -0.007 0.000 1.119 198 M CB -0.284 32.325 32.600 0.014 0.000 1.377 198 M HN 0.142 nan 8.290 nan 0.000 0.415 199 A N 0.052 122.921 122.820 0.081 0.000 1.892 199 A HA -0.056 4.273 4.320 0.015 0.000 0.218 199 A C 2.273 179.886 177.584 0.048 0.000 1.188 199 A CA 2.088 54.165 52.037 0.066 0.000 0.631 199 A CB -1.365 17.671 19.000 0.061 0.000 0.822 199 A HN 0.668 nan 8.150 nan 0.000 0.447 200 A N -2.439 120.405 122.820 0.039 0.000 2.218 200 A HA 0.111 4.440 4.320 0.015 0.000 0.209 200 A C 1.289 178.724 177.584 -0.248 0.000 1.168 200 A CA 0.715 52.682 52.037 -0.117 0.000 0.804 200 A CB -0.322 18.558 19.000 -0.200 0.000 0.834 200 A HN 0.683 nan 8.150 nan 0.000 0.482 201 H N -2.004 117.093 119.070 0.044 0.000 2.750 201 H HA 0.190 4.755 4.556 0.015 0.000 0.252 201 H C 1.432 176.615 175.328 -0.241 0.000 1.176 201 H CA -0.261 55.689 56.048 -0.163 0.000 0.987 201 H CB 0.169 29.810 29.762 -0.202 0.000 1.810 201 H HN 0.378 nan 8.280 nan 0.000 0.630 202 R N 1.844 122.381 120.500 0.062 0.000 2.139 202 R HA -0.154 4.195 4.340 0.015 0.000 0.243 202 R C 1.648 177.926 176.300 -0.037 0.000 1.145 202 R CA 1.660 57.778 56.100 0.030 0.000 0.976 202 R CB -0.069 30.282 30.300 0.084 0.000 0.866 202 R HN 0.568 nan 8.270 nan 0.000 0.449 203 H N -2.405 116.599 119.070 -0.110 0.000 2.547 203 H HA 0.127 4.692 4.556 0.015 0.000 0.272 203 H C 1.210 176.414 175.328 -0.206 0.000 0.971 203 H CA 0.455 56.417 56.048 -0.144 0.000 1.245 203 H CB 0.016 29.712 29.762 -0.111 0.000 1.440 203 H HN 0.297 nan 8.280 nan 0.000 0.540 204 E N 0.947 120.692 120.200 -0.758 0.000 2.307 204 E HA 0.199 4.558 4.350 0.015 0.000 0.195 204 E C 0.232 176.536 176.600 -0.493 0.000 0.975 204 E CA -0.204 55.834 56.400 -0.603 0.000 0.878 204 E CB 0.500 29.804 29.700 -0.660 0.000 0.845 204 E HN 0.274 nan 8.360 nan 0.000 0.488 205 I N 1.642 121.936 120.570 -0.461 0.000 2.505 205 I HA -0.006 4.173 4.170 0.015 0.000 0.287 205 I C 1.125 176.904 176.117 -0.563 0.000 1.104 205 I CA -0.197 60.842 61.300 -0.436 0.000 1.387 205 I CB 1.467 39.288 38.000 -0.300 0.000 1.404 205 I HN 0.120 nan 8.210 nan 0.000 0.528 206 A N 5.654 128.090 122.820 -0.640 0.000 2.016 206 A HA 0.473 4.802 4.320 0.015 0.000 0.217 206 A C 1.008 178.492 177.584 -0.166 0.000 1.162 206 A CA 1.199 52.866 52.037 -0.618 0.000 0.662 206 A CB 0.007 18.722 19.000 -0.475 0.000 0.812 206 A HN 0.823 nan 8.150 nan 0.000 0.450 207 A N -2.254 120.406 122.820 -0.266 0.000 2.590 207 A HA 0.531 4.860 4.320 0.015 0.000 0.294 207 A C -1.280 176.297 177.584 -0.012 0.000 1.046 207 A CA -0.367 51.647 52.037 -0.039 0.000 0.684 207 A CB 0.459 19.520 19.000 0.101 0.000 1.279 207 A HN 0.452 nan 8.150 nan 0.000 0.415 208 V N 1.796 121.722 119.914 0.020 0.000 2.427 208 V HA 0.663 4.792 4.120 0.015 0.000 0.286 208 V C -0.317 175.758 176.094 -0.030 0.000 1.034 208 V CA -0.241 62.066 62.300 0.011 0.000 0.893 208 V CB 1.340 33.214 31.823 0.084 0.000 0.982 208 V HN 0.794 nan 8.190 nan 0.000 0.452 209 I N 7.383 127.890 120.570 -0.105 0.000 2.512 209 I HA 0.700 4.879 4.170 0.015 0.000 0.287 209 I C -0.953 175.019 176.117 -0.241 0.000 1.069 209 I CA -0.401 60.775 61.300 -0.208 0.000 1.056 209 I CB 1.127 38.926 38.000 -0.335 0.000 1.229 209 I HN 0.735 nan 8.210 nan 0.000 0.429 210 I N 2.638 123.097 120.570 -0.186 0.000 3.102 210 I HA 0.544 4.723 4.170 0.015 0.000 0.310 210 I C -1.362 174.800 176.117 0.074 0.000 1.246 210 I CA -0.896 60.321 61.300 -0.139 0.000 0.979 210 I CB 2.312 39.890 38.000 -0.703 0.000 1.267 210 I HN 0.479 nan 8.210 nan 0.000 0.451 211 E N 3.970 124.247 120.200 0.128 0.000 2.259 211 E HA 0.317 4.676 4.350 0.015 0.000 0.281 211 E C -2.429 174.291 176.600 0.201 0.000 1.037 211 E CA -1.661 54.810 56.400 0.118 0.000 0.854 211 E CB 0.599 30.320 29.700 0.034 0.000 1.051 211 E HN 0.375 nan 8.360 nan 0.000 0.409 212 P HA 0.047 nan 4.420 nan 0.000 0.281 212 P C 0.498 177.782 177.300 -0.027 0.000 1.286 212 P CA -0.006 63.178 63.100 0.139 0.000 0.772 212 P CB 0.608 32.354 31.700 0.077 0.000 0.862 213 I N 0.709 121.048 120.570 -0.386 0.000 4.431 213 I HA -0.262 3.917 4.170 0.015 0.000 0.062 213 I C 0.351 176.070 176.117 -0.662 0.000 0.596 213 I CA 1.334 62.075 61.300 -0.930 0.000 1.045 213 I CB -1.986 35.804 38.000 -0.350 0.000 0.935 213 I HN 0.152 nan 8.210 nan 0.000 0.166 214 V N 3.704 123.503 119.914 -0.192 0.000 2.398 214 V HA 0.328 4.457 4.120 0.015 0.000 0.286 214 V C 0.490 176.631 176.094 0.077 0.000 1.026 214 V CA -0.412 61.876 62.300 -0.020 0.000 0.868 214 V CB 1.550 33.413 31.823 0.066 0.000 0.982 214 V HN 0.230 nan 8.190 nan 0.000 0.443 215 Q N 3.236 123.120 119.800 0.141 0.000 2.377 215 Q HA 0.362 4.711 4.340 0.015 0.000 0.249 215 Q C 1.012 177.057 176.000 0.075 0.000 1.005 215 Q CA -0.004 55.874 55.803 0.125 0.000 0.912 215 Q CB 1.708 30.546 28.738 0.168 0.000 1.223 215 Q HN 0.955 nan 8.270 nan 0.000 0.459 216 G N 1.797 110.624 108.800 0.045 0.000 2.609 216 G HA2 -0.127 3.843 3.960 0.015 0.000 0.167 216 G HA3 -0.127 3.843 3.960 0.015 0.000 0.167 216 G C 0.914 175.822 174.900 0.013 0.000 1.668 216 G CA 0.589 45.749 45.100 0.100 0.000 0.886 216 G HN 0.667 nan 8.290 nan 0.000 0.378 217 A N -0.182 122.591 122.820 -0.078 0.000 2.239 217 A HA 0.317 4.646 4.320 0.015 0.000 0.209 217 A C 2.180 179.564 177.584 -0.333 0.000 1.171 217 A CA 1.556 53.397 52.037 -0.327 0.000 0.768 217 A CB -0.439 18.164 19.000 -0.662 0.000 0.790 217 A HN 0.783 nan 8.150 nan 0.000 0.478 218 G N -2.190 106.526 108.800 -0.139 0.000 3.088 218 G HA2 0.396 4.365 3.960 0.015 0.000 0.217 218 G HA3 0.396 4.365 3.960 0.015 0.000 0.217 218 G C 0.799 175.702 174.900 0.005 0.000 1.159 218 G CA 0.816 45.886 45.100 -0.050 0.000 0.760 218 G HN 1.195 nan 8.290 nan 0.000 0.550 219 G N -0.978 107.815 108.800 -0.012 0.000 4.111 219 G HA2 -0.031 3.939 3.960 0.015 0.000 0.216 219 G HA3 -0.031 3.939 3.960 0.015 0.000 0.216 219 G C 0.592 175.481 174.900 -0.018 0.000 0.822 219 G CA 0.116 45.227 45.100 0.017 0.000 0.845 219 G HN 0.210 nan 8.290 nan 0.000 0.533 220 M N 0.901 120.466 119.600 -0.059 0.000 2.249 220 M HA -0.138 4.351 4.480 0.015 0.000 0.198 220 M C 0.378 176.679 176.300 0.002 0.000 0.394 220 M CA 0.642 55.893 55.300 -0.081 0.000 0.427 220 M CB -2.194 30.254 32.600 -0.253 0.000 1.307 220 M HN 0.634 nan 8.290 nan 0.000 0.924 221 R N -0.304 120.224 120.500 0.047 0.000 2.596 221 R HA 0.841 5.190 4.340 0.015 0.000 0.267 221 R C 0.134 176.487 176.300 0.089 0.000 1.026 221 R CA -0.667 55.478 56.100 0.076 0.000 1.087 221 R CB 1.130 31.488 30.300 0.097 0.000 1.132 221 R HN 0.380 nan 8.270 nan 0.000 0.531 222 M N 2.459 122.111 119.600 0.086 0.000 2.090 222 M HA 0.276 4.765 4.480 0.015 0.000 0.277 222 M C -1.360 174.989 176.300 0.082 0.000 0.935 222 M CA -0.747 54.568 55.300 0.024 0.000 0.966 222 M CB 1.371 33.966 32.600 -0.008 0.000 1.635 222 M HN 0.577 nan 8.290 nan 0.000 0.446 223 Y N -1.096 119.251 120.300 0.079 0.000 2.496 223 Y HA 0.634 5.195 4.550 0.018 0.000 0.325 223 Y C -0.222 175.787 175.900 0.182 0.000 1.271 223 Y CA -1.118 57.068 58.100 0.144 0.000 1.368 223 Y CB 0.376 38.909 38.460 0.120 0.000 1.415 223 Y HN 0.543 nan 8.280 nan 0.000 0.527 224 H N 2.743 122.074 119.070 0.436 0.000 2.690 224 H HA 0.208 4.773 4.556 0.015 0.000 0.314 224 H C -1.681 173.817 175.328 0.284 0.000 1.069 224 H CA -2.124 54.102 56.048 0.297 0.000 1.436 224 H CB 1.310 31.297 29.762 0.376 0.000 1.462 224 H HN 0.436 nan 8.280 nan 0.000 0.511 225 P HA -0.246 nan 4.420 nan 0.000 0.218 225 P C 1.223 178.622 177.300 0.166 0.000 1.146 225 P CA 1.047 64.243 63.100 0.160 0.000 0.820 225 P CB 0.400 32.123 31.700 0.038 0.000 0.778 226 E N -1.227 119.045 120.200 0.121 0.000 2.219 226 E HA -0.191 4.168 4.350 0.015 0.000 0.198 226 E C 1.893 178.155 176.600 -0.563 0.000 0.998 226 E CA 1.024 57.121 56.400 -0.506 0.000 0.818 226 E CB -0.594 28.252 29.700 -1.422 0.000 0.741 226 E HN 0.410 nan 8.360 nan 0.000 0.477 227 W N 0.575 121.727 121.300 -0.247 0.000 2.358 227 W HA -0.106 4.559 4.660 0.007 0.000 0.303 227 W C 2.279 178.817 176.519 0.033 0.000 1.208 227 W CA 0.668 57.990 57.345 -0.038 0.000 1.274 227 W CB -0.205 29.351 29.460 0.159 0.000 1.138 227 W HN 0.060 nan 8.180 nan 0.000 0.515 228 L N -0.038 121.418 121.223 0.388 0.000 2.056 228 L HA -0.211 4.138 4.340 0.015 0.000 0.207 228 L C 2.388 179.321 176.870 0.105 0.000 1.078 228 L CA 1.318 56.311 54.840 0.255 0.000 0.749 228 L CB -0.736 41.462 42.059 0.231 0.000 0.901 228 L HN -0.075 nan 8.230 nan 0.000 0.433 229 K N -0.429 119.982 120.400 0.019 0.000 2.025 229 K HA -0.114 4.215 4.320 0.015 0.000 0.207 229 K C 2.275 178.845 176.600 -0.050 0.000 1.049 229 K CA 0.920 57.188 56.287 -0.032 0.000 0.933 229 K CB -0.044 32.407 32.500 -0.083 0.000 0.714 229 K HN 0.186 nan 8.250 nan 0.000 0.438 230 R N 0.882 121.307 120.500 -0.125 0.000 2.105 230 R HA -0.088 4.261 4.340 0.015 0.000 0.239 230 R C 2.244 178.529 176.300 -0.025 0.000 1.135 230 R CA 1.137 57.163 56.100 -0.123 0.000 0.967 230 R CB -0.645 29.498 30.300 -0.261 0.000 0.861 230 R HN 0.317 nan 8.270 nan 0.000 0.442 231 I N 0.556 121.148 120.570 0.036 0.000 2.315 231 I HA -0.215 3.964 4.170 0.015 0.000 0.248 231 I C 2.631 178.805 176.117 0.096 0.000 1.117 231 I CA 0.820 62.180 61.300 0.101 0.000 1.404 231 I CB -0.304 37.788 38.000 0.154 0.000 1.071 231 I HN 0.036 nan 8.210 nan 0.000 0.419 232 R N 1.815 122.353 120.500 0.063 0.000 2.081 232 R HA -0.154 4.195 4.340 0.015 0.000 0.235 232 R C 2.047 178.374 176.300 0.046 0.000 1.131 232 R CA 1.612 57.740 56.100 0.047 0.000 0.960 232 R CB -0.336 29.980 30.300 0.028 0.000 0.856 232 R HN 0.269 nan 8.270 nan 0.000 0.436 233 K N 0.082 120.505 120.400 0.038 0.000 2.025 233 K HA -0.097 4.232 4.320 0.015 0.000 0.207 233 K C 2.002 178.640 176.600 0.063 0.000 1.049 233 K CA 1.441 57.751 56.287 0.038 0.000 0.933 233 K CB -0.486 32.026 32.500 0.020 0.000 0.714 233 K HN 0.183 nan 8.250 nan 0.000 0.438 234 I N 0.381 121.004 120.570 0.088 0.000 2.208 234 I HA -0.323 3.856 4.170 0.015 0.000 0.245 234 I C 1.659 177.849 176.117 0.121 0.000 1.097 234 I CA 1.581 62.955 61.300 0.124 0.000 1.363 234 I CB -0.401 37.720 38.000 0.201 0.000 1.051 234 I HN 0.139 nan 8.210 nan 0.000 0.413 235 C N 0.878 120.251 119.300 0.122 0.000 2.436 235 C HA -0.159 4.310 4.460 0.015 0.000 0.277 235 C C 2.471 177.515 174.990 0.090 0.000 1.241 235 C CA 1.207 60.289 59.018 0.106 0.000 1.721 235 C CB -1.410 26.385 27.740 0.091 0.000 2.043 235 C HN 0.577 nan 8.230 nan 0.000 0.472 236 D N 0.063 120.506 120.400 0.071 0.000 2.104 236 D HA -0.145 4.504 4.640 0.015 0.000 0.194 236 D C 2.403 178.743 176.300 0.067 0.000 0.994 236 D CA 1.140 55.176 54.000 0.060 0.000 0.830 236 D CB -0.529 40.296 40.800 0.042 0.000 0.959 236 D HN 0.512 nan 8.370 nan 0.000 0.452 237 R N 0.748 121.287 120.500 0.065 0.000 2.189 237 R HA -0.098 4.251 4.340 0.015 0.000 0.218 237 R C 1.409 177.751 176.300 0.070 0.000 1.074 237 R CA 1.035 57.172 56.100 0.061 0.000 0.991 237 R CB 0.122 30.455 30.300 0.054 0.000 0.883 237 R HN -0.068 nan 8.270 nan 0.000 0.457 238 E N -0.759 119.489 120.200 0.081 0.000 2.318 238 E HA 0.111 4.470 4.350 0.015 0.000 0.193 238 E C 0.967 177.641 176.600 0.122 0.000 0.998 238 E CA 1.038 57.488 56.400 0.084 0.000 0.859 238 E CB 0.443 30.185 29.700 0.070 0.000 0.812 238 E HN 0.575 nan 8.360 nan 0.000 0.492 239 G N 0.821 109.706 108.800 0.141 0.000 2.225 239 G HA2 -0.340 3.629 3.960 0.015 0.000 0.254 239 G HA3 -0.340 3.629 3.960 0.015 0.000 0.254 239 G C 0.548 175.631 174.900 0.305 0.000 0.988 239 G CA 0.287 45.513 45.100 0.211 0.000 0.625 239 G HN 0.411 nan 8.290 nan 0.000 0.527 240 I N 1.375 122.090 120.570 0.241 0.000 2.948 240 I HA 0.502 4.681 4.170 0.015 0.000 0.290 240 I C 0.847 177.077 176.117 0.189 0.000 1.226 240 I CA -0.598 60.861 61.300 0.266 0.000 1.413 240 I CB 0.420 38.463 38.000 0.070 0.000 1.352 240 I HN 0.242 nan 8.210 nan 0.000 0.597 241 L N 6.038 127.369 121.223 0.180 0.000 2.371 241 L HA 0.404 4.753 4.340 0.015 0.000 0.272 241 L C -0.159 176.715 176.870 0.007 0.000 1.124 241 L CA -0.591 54.251 54.840 0.002 0.000 0.816 241 L CB 0.610 42.600 42.059 -0.114 0.000 1.129 241 L HN 0.609 nan 8.230 nan 0.000 0.448 242 L N 4.827 126.032 121.223 -0.029 0.000 2.325 242 L HA 0.569 4.918 4.340 0.015 0.000 0.281 242 L C -0.710 176.125 176.870 -0.060 0.000 1.004 242 L CA -0.378 54.450 54.840 -0.022 0.000 0.823 242 L CB 1.610 43.667 42.059 -0.003 0.000 1.236 242 L HN 0.626 nan 8.230 nan 0.000 0.415 243 I N 4.825 125.356 120.570 -0.066 0.000 2.339 243 I HA 0.415 4.594 4.170 0.015 0.000 0.290 243 I C 0.302 176.355 176.117 -0.107 0.000 0.994 243 I CA -0.395 60.844 61.300 -0.101 0.000 1.191 243 I CB 1.854 39.781 38.000 -0.122 0.000 1.343 243 I HN 0.686 nan 8.210 nan 0.000 0.458 244 A N 4.616 127.379 122.820 -0.095 0.000 2.276 244 A HA 0.371 4.700 4.320 0.015 0.000 0.316 244 A C -0.583 176.961 177.584 -0.067 0.000 1.229 244 A CA -0.461 51.536 52.037 -0.067 0.000 0.851 244 A CB 0.546 19.511 19.000 -0.058 0.000 1.165 244 A HN 0.663 nan 8.150 nan 0.000 0.513 245 D N 2.378 122.770 120.400 -0.012 0.000 2.428 245 D HA 0.178 4.827 4.640 0.015 0.000 0.221 245 D C 0.174 176.449 176.300 -0.042 0.000 1.123 245 D CA 0.113 54.113 54.000 -0.001 0.000 0.869 245 D CB 0.613 41.511 40.800 0.164 0.000 1.032 245 D HN 0.571 nan 8.370 nan 0.000 0.506 246 E N 3.447 123.601 120.200 -0.076 0.000 2.569 246 E HA 0.110 4.470 4.350 0.015 0.000 0.205 246 E C 1.594 178.123 176.600 -0.118 0.000 1.006 246 E CA -0.185 56.160 56.400 -0.091 0.000 0.985 246 E CB 0.588 30.258 29.700 -0.050 0.000 1.060 246 E HN 0.622 nan 8.360 nan 0.000 0.460 247 I N 0.759 121.260 120.570 -0.116 0.000 2.423 247 I HA -0.264 3.915 4.170 0.015 0.000 0.254 247 I C 2.180 178.160 176.117 -0.228 0.000 1.151 247 I CA 1.285 62.519 61.300 -0.110 0.000 1.421 247 I CB -0.011 37.933 38.000 -0.093 0.000 1.079 247 I HN 0.091 nan 8.210 nan 0.000 0.431 248 A N -0.113 122.464 122.820 -0.406 0.000 2.055 248 A HA -0.002 4.327 4.320 0.015 0.000 0.205 248 A C 2.183 179.327 177.584 -0.734 0.000 1.235 248 A CA 0.853 52.351 52.037 -0.899 0.000 0.822 248 A CB -0.419 17.830 19.000 -1.252 0.000 0.903 248 A HN 0.390 nan 8.150 nan 0.000 0.473 249 T N -2.524 111.811 114.554 -0.364 0.000 3.057 249 T HA 0.318 4.677 4.350 0.015 0.000 0.254 249 T C 1.109 175.745 174.700 -0.106 0.000 1.094 249 T CA 0.509 62.512 62.100 -0.162 0.000 1.088 249 T CB -0.301 68.520 68.868 -0.079 0.000 0.934 249 T HN 0.419 nan 8.240 nan 0.000 0.497 250 G N 0.682 109.390 108.800 -0.154 0.000 2.491 250 G HA2 0.399 4.368 3.960 0.015 0.000 0.242 250 G HA3 0.399 4.368 3.960 0.015 0.000 0.242 250 G C -0.329 174.315 174.900 -0.427 0.000 1.266 250 G CA -0.648 44.242 45.100 -0.350 0.000 0.844 250 G HN 0.338 nan 8.290 nan 0.000 0.571 251 F N -0.629 118.916 119.950 -0.676 0.000 2.986 251 F HA -0.178 4.362 4.527 0.021 0.000 0.309 251 F C 1.614 177.029 175.800 -0.642 0.000 0.884 251 F CA 1.256 58.835 58.000 -0.701 0.000 1.263 251 F CB -1.511 37.258 39.000 -0.385 0.000 1.315 251 F HN 1.704 nan 8.300 nan 0.000 0.595 252 G N -0.449 107.964 108.800 -0.645 0.000 2.143 252 G HA2 -0.415 3.554 3.960 0.015 0.000 0.248 252 G HA3 -0.415 3.554 3.960 0.015 0.000 0.248 252 G C 0.934 175.761 174.900 -0.122 0.000 0.991 252 G CA 0.607 45.325 45.100 -0.638 0.000 0.689 252 G HN 0.683 nan 8.290 nan 0.000 0.522 253 R N 0.531 121.062 120.500 0.050 0.000 2.152 253 R HA -0.006 4.344 4.340 0.015 0.000 0.232 253 R C 2.678 179.083 176.300 0.175 0.000 1.117 253 R CA 2.508 58.743 56.100 0.224 0.000 0.981 253 R CB -0.300 30.224 30.300 0.374 0.000 0.870 253 R HN 0.663 nan 8.270 nan 0.000 0.451 254 T N -4.562 110.084 114.554 0.153 0.000 3.105 254 T HA 0.346 4.705 4.350 0.015 0.000 0.253 254 T C 1.113 175.956 174.700 0.239 0.000 1.047 254 T CA 0.227 62.449 62.100 0.203 0.000 0.944 254 T CB 0.922 69.947 68.868 0.262 0.000 1.016 254 T HN 0.338 nan 8.240 nan 0.000 0.544 255 G N 0.769 109.692 108.800 0.205 0.000 2.253 255 G HA2 -0.142 3.827 3.960 0.015 0.000 0.209 255 G HA3 -0.142 3.827 3.960 0.015 0.000 0.209 255 G C -0.174 174.890 174.900 0.273 0.000 0.997 255 G CA -0.285 44.952 45.100 0.229 0.000 0.640 255 G HN 0.663 nan 8.290 nan 0.000 0.496 256 K N -0.307 120.190 120.400 0.162 0.000 2.426 256 K HA 0.643 4.972 4.320 0.015 0.000 0.251 256 K C 0.906 177.463 176.600 -0.072 0.000 0.941 256 K CA -0.960 55.400 56.287 0.121 0.000 0.808 256 K CB 2.325 34.691 32.500 -0.223 0.000 1.265 256 K HN 0.023 nan 8.250 nan 0.000 0.432 257 L N 1.842 122.988 121.223 -0.130 0.000 2.030 257 L HA -0.123 4.226 4.340 0.015 0.000 0.222 257 L C -0.260 176.033 176.870 -0.962 0.000 1.082 257 L CA 2.072 56.491 54.840 -0.702 0.000 0.785 257 L CB -0.175 41.658 42.059 -0.377 0.000 0.895 257 L HN 0.486 nan 8.230 nan 0.000 0.439 258 F N -2.851 116.980 119.950 -0.199 0.000 2.551 258 F HA 0.533 5.059 4.527 -0.002 0.000 0.316 258 F C 0.945 176.648 175.800 -0.163 0.000 1.089 258 F CA -0.381 57.492 58.000 -0.210 0.000 0.915 258 F CB 1.194 40.067 39.000 -0.212 0.000 1.186 258 F HN -0.171 nan 8.300 nan 0.000 0.456 259 A N 0.219 123.075 122.820 0.059 0.000 2.119 259 A HA -0.048 4.282 4.320 0.015 0.000 0.217 259 A C 1.740 179.372 177.584 0.081 0.000 1.153 259 A CA 1.040 53.120 52.037 0.070 0.000 0.692 259 A CB -1.048 18.012 19.000 0.101 0.000 0.799 259 A HN 0.882 nan 8.150 nan 0.000 0.458 260 C N -0.268 119.068 119.300 0.059 0.000 2.437 260 C HA -0.031 4.438 4.460 0.015 0.000 0.283 260 C C 2.339 177.347 174.990 0.029 0.000 1.424 260 C CA 0.850 59.898 59.018 0.049 0.000 1.782 260 C CB -1.310 26.439 27.740 0.015 0.000 1.833 260 C HN 0.663 nan 8.230 nan 0.000 0.532 261 E N -0.260 119.929 120.200 -0.018 0.000 2.204 261 E HA -0.171 4.188 4.350 0.015 0.000 0.194 261 E C 1.720 178.284 176.600 -0.060 0.000 0.989 261 E CA 0.727 57.097 56.400 -0.049 0.000 0.824 261 E CB -0.144 29.513 29.700 -0.071 0.000 0.756 261 E HN 0.734 nan 8.360 nan 0.000 0.477 262 H N -0.564 118.521 119.070 0.025 0.000 2.489 262 H HA -0.047 4.521 4.556 0.019 0.000 0.295 262 H C 1.491 176.820 175.328 0.001 0.000 1.082 262 H CA 1.401 57.451 56.048 0.003 0.000 1.295 262 H CB 0.186 29.935 29.762 -0.021 0.000 1.380 262 H HN 0.171 nan 8.280 nan 0.000 0.548 263 A N -0.173 122.716 122.820 0.116 0.000 2.431 263 A HA 0.120 4.450 4.320 0.015 0.000 0.239 263 A C 0.620 178.227 177.584 0.038 0.000 1.230 263 A CA -0.107 51.973 52.037 0.071 0.000 0.928 263 A CB 0.540 19.589 19.000 0.082 0.000 1.006 263 A HN 0.296 nan 8.150 nan 0.000 0.520 264 E N -0.802 119.417 120.200 0.031 0.000 2.476 264 E HA -0.228 4.131 4.350 0.015 0.000 0.251 264 E C -0.267 176.340 176.600 0.011 0.000 1.130 264 E CA 0.937 57.347 56.400 0.016 0.000 0.736 264 E CB -1.821 27.887 29.700 0.013 0.000 1.298 264 E HN 0.879 nan 8.360 nan 0.000 0.400 265 I N -2.983 117.595 120.570 0.014 0.000 2.797 265 I HA 0.765 4.944 4.170 0.015 0.000 0.307 265 I C -0.462 175.649 176.117 -0.009 0.000 1.033 265 I CA -0.672 60.633 61.300 0.007 0.000 1.071 265 I CB 2.162 40.175 38.000 0.021 0.000 1.255 265 I HN -0.048 nan 8.210 nan 0.000 0.445 266 A N 5.244 128.051 122.820 -0.021 0.000 2.355 266 A HA 0.920 5.249 4.320 0.015 0.000 0.317 266 A C -2.734 174.819 177.584 -0.052 0.000 1.094 266 A CA -1.568 50.440 52.037 -0.048 0.000 0.764 266 A CB 0.764 19.732 19.000 -0.054 0.000 1.230 266 A HN 0.684 nan 8.150 nan 0.000 0.448 267 P HA 0.287 nan 4.420 nan 0.000 0.277 267 P C -0.564 176.680 177.300 -0.094 0.000 1.271 267 P CA -0.159 62.893 63.100 -0.079 0.000 0.795 267 P CB 1.112 32.751 31.700 -0.102 0.000 1.101 268 D N -0.592 119.746 120.400 -0.103 0.000 2.327 268 D HA 0.184 4.833 4.640 0.015 0.000 0.205 268 D C 0.538 176.745 176.300 -0.154 0.000 0.989 268 D CA 1.039 54.960 54.000 -0.131 0.000 0.873 268 D CB 0.428 41.130 40.800 -0.163 0.000 0.955 268 D HN 0.337 nan 8.370 nan 0.000 0.515 269 I N 1.021 121.502 120.570 -0.148 0.000 2.607 269 I HA 0.240 4.419 4.170 0.015 0.000 0.290 269 I C -1.361 174.667 176.117 -0.149 0.000 1.129 269 I CA -0.948 60.258 61.300 -0.157 0.000 1.042 269 I CB 2.915 40.817 38.000 -0.164 0.000 1.242 269 I HN -0.270 nan 8.210 nan 0.000 0.421 270 L N 6.772 127.900 121.223 -0.159 0.000 2.381 270 L HA 0.659 5.008 4.340 0.015 0.000 0.274 270 L C -1.036 175.747 176.870 -0.145 0.000 0.988 270 L CA 0.026 54.763 54.840 -0.172 0.000 0.824 270 L CB 1.424 43.339 42.059 -0.241 0.000 1.263 270 L HN 0.683 nan 8.230 nan 0.000 0.410 271 C N 5.483 124.707 119.300 -0.125 0.000 2.341 271 C HA 0.749 5.218 4.460 0.015 0.000 0.338 271 C C 0.107 175.052 174.990 -0.075 0.000 1.257 271 C CA -0.750 58.213 59.018 -0.091 0.000 1.883 271 C CB 0.335 28.022 27.740 -0.088 0.000 2.334 271 C HN 0.781 nan 8.230 nan 0.000 0.524 272 L N 2.107 123.313 121.223 -0.028 0.000 2.303 272 L HA 0.982 5.331 4.340 0.015 0.000 0.256 272 L C 0.535 177.451 176.870 0.077 0.000 1.034 272 L CA -0.109 54.746 54.840 0.026 0.000 0.832 272 L CB 2.228 44.332 42.059 0.075 0.000 1.403 272 L HN 0.921 nan 8.230 nan 0.000 0.419 273 G N -1.001 107.891 108.800 0.153 0.000 2.367 273 G HA2 0.169 4.138 3.960 0.015 0.000 0.272 273 G HA3 0.169 4.138 3.960 0.015 0.000 0.272 273 G C -0.658 174.320 174.900 0.129 0.000 1.271 273 G CA -0.107 45.063 45.100 0.116 0.000 0.893 273 G HN 0.508 nan 8.290 nan 0.000 0.485 274 K N -1.279 119.171 120.400 0.083 0.000 8.933 274 K HA -0.405 3.924 4.320 0.015 0.000 0.433 274 K C 2.256 178.901 176.600 0.075 0.000 0.526 274 K CA 2.783 59.128 56.287 0.097 0.000 1.517 274 K CB -1.581 30.987 32.500 0.113 0.000 0.800 274 K HN 1.508 nan 8.250 nan 0.000 1.082 275 A N 1.237 124.120 122.820 0.104 0.000 2.216 275 A HA -0.050 4.279 4.320 0.015 0.000 0.214 275 A C 1.891 179.351 177.584 -0.206 0.000 1.160 275 A CA 1.407 53.436 52.037 -0.013 0.000 0.725 275 A CB -0.311 18.725 19.000 0.060 0.000 0.784 275 A HN 0.403 nan 8.150 nan 0.000 0.472 276 L N 0.730 121.888 121.223 -0.108 0.000 2.021 276 L HA -0.183 4.166 4.340 0.015 0.000 0.215 276 L C 2.267 178.961 176.870 -0.294 0.000 1.074 276 L CA 2.942 57.602 54.840 -0.299 0.000 0.760 276 L CB -0.881 41.199 42.059 0.033 0.000 0.889 276 L HN 0.531 nan 8.230 nan 0.000 0.433 277 T N -4.117 110.345 114.554 -0.154 0.000 3.176 277 T HA 0.462 4.822 4.350 0.015 0.000 0.263 277 T C 1.202 175.837 174.700 -0.108 0.000 1.021 277 T CA 0.190 62.217 62.100 -0.121 0.000 0.905 277 T CB -0.169 68.657 68.868 -0.070 0.000 1.057 277 T HN 0.747 nan 8.240 nan 0.000 0.558 278 G N 0.898 109.615 108.800 -0.138 0.000 2.148 278 G HA2 0.073 4.042 3.960 0.015 0.000 0.254 278 G HA3 0.073 4.042 3.960 0.015 0.000 0.254 278 G C 0.986 175.809 174.900 -0.130 0.000 0.981 278 G CA 0.158 45.195 45.100 -0.106 0.000 0.670 278 G HN 1.855 nan 8.290 nan 0.000 0.528 279 G N -1.301 107.442 108.800 -0.096 0.000 2.246 279 G HA2 0.006 3.975 3.960 0.015 0.000 0.273 279 G HA3 0.006 3.975 3.960 0.015 0.000 0.273 279 G C 1.165 176.036 174.900 -0.049 0.000 1.055 279 G CA 1.703 46.766 45.100 -0.061 0.000 0.851 279 G HN 2.141 nan 8.290 nan 0.000 0.500 280 T N -3.258 111.272 114.554 -0.040 0.000 3.039 280 T HA 0.534 4.894 4.350 0.015 0.000 0.250 280 T C 1.094 175.788 174.700 -0.011 0.000 1.052 280 T CA 1.451 63.538 62.100 -0.022 0.000 1.125 280 T CB 0.108 68.959 68.868 -0.029 0.000 0.908 280 T HN 1.644 nan 8.240 nan 0.000 0.473 281 M N -0.672 118.918 119.600 -0.017 0.000 2.895 281 M HA 0.486 4.975 4.480 0.015 0.000 0.271 281 M C -1.575 174.714 176.300 -0.019 0.000 1.174 281 M CA -0.850 54.436 55.300 -0.022 0.000 0.816 281 M CB 1.600 34.174 32.600 -0.043 0.000 1.647 281 M HN -0.172 nan 8.290 nan 0.000 0.506 282 T N 1.522 116.060 114.554 -0.027 0.000 2.869 282 T HA 0.701 5.060 4.350 0.015 0.000 0.295 282 T C -1.266 173.420 174.700 -0.024 0.000 0.987 282 T CA -0.200 61.892 62.100 -0.013 0.000 1.109 282 T CB 0.408 69.271 68.868 -0.009 0.000 0.932 282 T HN 0.534 nan 8.240 nan 0.000 0.518 283 L N 3.423 124.643 121.223 -0.005 0.000 2.518 283 L HA 0.731 5.080 4.340 0.015 0.000 0.257 283 L C -0.879 176.005 176.870 0.023 0.000 0.980 283 L CA -0.282 54.558 54.840 -0.001 0.000 0.837 283 L CB 2.376 44.427 42.059 -0.012 0.000 1.410 283 L HN 0.679 nan 8.230 nan 0.000 0.410 284 S N 1.187 116.906 115.700 0.031 0.000 2.627 284 S HA 1.009 5.489 4.470 0.015 0.000 0.283 284 S C -1.709 172.925 174.600 0.057 0.000 1.127 284 S CA 0.082 58.311 58.200 0.048 0.000 0.863 284 S CB 1.868 65.095 63.200 0.045 0.000 1.121 284 S HN 1.140 nan 8.310 nan 0.000 0.479 285 A N 1.532 124.391 122.820 0.064 0.000 2.513 285 A HA 0.663 4.993 4.320 0.015 0.000 0.296 285 A C -1.116 176.493 177.584 0.041 0.000 1.052 285 A CA -0.539 51.538 52.037 0.066 0.000 0.714 285 A CB 1.564 20.608 19.000 0.075 0.000 1.279 285 A HN 0.567 nan 8.150 nan 0.000 0.397 286 T N 3.014 117.604 114.554 0.060 0.000 2.833 286 T HA 0.554 4.913 4.350 0.015 0.000 0.297 286 T C -0.651 174.040 174.700 -0.016 0.000 1.015 286 T CA -0.130 61.968 62.100 -0.004 0.000 0.963 286 T CB 0.268 69.118 68.868 -0.030 0.000 0.955 286 T HN 0.417 nan 8.240 nan 0.000 0.449 287 L N 2.461 123.643 121.223 -0.069 0.000 2.344 287 L HA 0.842 5.191 4.340 0.015 0.000 0.272 287 L C 0.672 177.469 176.870 -0.121 0.000 1.035 287 L CA -0.148 54.643 54.840 -0.081 0.000 0.807 287 L CB 1.959 43.960 42.059 -0.097 0.000 1.237 287 L HN 0.579 nan 8.230 nan 0.000 0.442 288 T N -0.914 113.571 114.554 -0.115 0.000 2.754 288 T HA 0.569 4.928 4.350 0.015 0.000 0.296 288 T C -0.590 174.045 174.700 -0.109 0.000 1.205 288 T CA -0.177 61.840 62.100 -0.138 0.000 1.009 288 T CB 1.349 70.108 68.868 -0.181 0.000 1.368 288 T HN 0.793 nan 8.240 nan 0.000 0.509 289 T N -0.311 114.177 114.554 -0.110 0.000 2.847 289 T HA 0.381 4.740 4.350 0.015 0.000 0.279 289 T C 1.124 175.789 174.700 -0.059 0.000 0.984 289 T CA -0.427 61.626 62.100 -0.079 0.000 0.988 289 T CB 0.933 69.754 68.868 -0.079 0.000 1.040 289 T HN 0.657 nan 8.240 nan 0.000 0.528 290 R N -0.033 120.443 120.500 -0.039 0.000 2.235 290 R HA 0.025 4.374 4.340 0.015 0.000 0.213 290 R C 2.094 178.383 176.300 -0.018 0.000 1.059 290 R CA 1.062 57.146 56.100 -0.026 0.000 0.997 290 R CB -0.358 29.930 30.300 -0.019 0.000 0.884 290 R HN 0.803 nan 8.270 nan 0.000 0.462 291 E N 0.131 120.324 120.200 -0.013 0.000 2.107 291 E HA -0.097 4.262 4.350 0.015 0.000 0.191 291 E C 1.644 178.284 176.600 0.066 0.000 0.982 291 E CA 1.414 57.822 56.400 0.013 0.000 0.809 291 E CB 0.205 29.917 29.700 0.021 0.000 0.756 291 E HN 0.284 nan 8.360 nan 0.000 0.459 292 V N 1.430 121.371 119.914 0.045 0.000 2.307 292 V HA -0.209 3.920 4.120 0.015 0.000 0.245 292 V C 2.641 178.761 176.094 0.043 0.000 1.045 292 V CA 1.724 64.080 62.300 0.094 0.000 1.024 292 V CB -1.038 30.698 31.823 -0.146 0.000 0.651 292 V HN 0.292 nan 8.190 nan 0.000 0.449 293 A N -0.140 122.664 122.820 -0.028 0.000 1.908 293 A HA -0.252 4.077 4.320 0.015 0.000 0.218 293 A C 2.211 179.790 177.584 -0.008 0.000 1.181 293 A CA 2.067 54.082 52.037 -0.037 0.000 0.627 293 A CB -0.440 18.539 19.000 -0.035 0.000 0.818 293 A HN 0.649 nan 8.150 nan 0.000 0.445 294 E N -1.168 119.027 120.200 -0.009 0.000 2.112 294 E HA -0.075 4.284 4.350 0.015 0.000 0.190 294 E C 1.974 178.551 176.600 -0.037 0.000 0.979 294 E CA 1.262 57.653 56.400 -0.015 0.000 0.814 294 E CB -0.281 29.407 29.700 -0.020 0.000 0.762 294 E HN 0.565 nan 8.360 nan 0.000 0.460 295 T N 1.522 116.041 114.554 -0.059 0.000 2.881 295 T HA -0.093 4.266 4.350 0.015 0.000 0.270 295 T C 1.927 176.546 174.700 -0.134 0.000 1.068 295 T CA 0.812 62.816 62.100 -0.159 0.000 1.131 295 T CB -0.076 68.576 68.868 -0.360 0.000 0.871 295 T HN 0.101 nan 8.240 nan 0.000 0.479 296 I N 1.006 121.549 120.570 -0.045 0.000 2.333 296 I HA -0.079 4.100 4.170 0.015 0.000 0.246 296 I C 2.418 178.552 176.117 0.029 0.000 1.106 296 I CA 0.794 62.099 61.300 0.008 0.000 1.411 296 I CB -0.185 37.859 38.000 0.073 0.000 1.082 296 I HN 0.132 nan 8.210 nan 0.000 0.420 297 S N 0.123 115.841 115.700 0.030 0.000 2.481 297 S HA -0.099 4.380 4.470 0.015 0.000 0.231 297 S C 1.014 175.620 174.600 0.011 0.000 0.996 297 S CA 0.869 59.093 58.200 0.039 0.000 0.942 297 S CB -0.222 63.003 63.200 0.041 0.000 0.768 297 S HN 0.386 nan 8.310 nan 0.000 0.520 298 D N 1.154 121.546 120.400 -0.014 0.000 2.340 298 D HA 0.259 4.908 4.640 0.015 0.000 0.217 298 D C 1.012 177.293 176.300 -0.033 0.000 1.081 298 D CA 0.038 54.023 54.000 -0.026 0.000 0.842 298 D CB -0.019 40.758 40.800 -0.039 0.000 0.934 298 D HN 0.364 nan 8.370 nan 0.000 0.511 299 G N -0.038 108.745 108.800 -0.029 0.000 2.588 299 G HA2 0.064 4.034 3.960 0.015 0.000 0.281 299 G HA3 0.064 4.034 3.960 0.015 0.000 0.281 299 G C 0.849 175.743 174.900 -0.010 0.000 1.236 299 G CA -0.402 44.682 45.100 -0.027 0.000 0.969 299 G HN -0.022 nan 8.290 nan 0.000 0.504 300 E N -0.742 119.453 120.200 -0.007 0.000 2.130 300 E HA -0.184 4.175 4.350 0.015 0.000 0.196 300 E C 2.673 179.273 176.600 0.001 0.000 0.998 300 E CA 1.444 57.842 56.400 -0.004 0.000 0.806 300 E CB -0.102 29.596 29.700 -0.002 0.000 0.738 300 E HN 0.474 nan 8.360 nan 0.000 0.459 301 A N -0.369 122.456 122.820 0.007 0.000 1.929 301 A HA 0.069 4.398 4.320 0.015 0.000 0.216 301 A C 1.989 179.580 177.584 0.012 0.000 1.176 301 A CA 1.373 53.414 52.037 0.008 0.000 0.628 301 A CB -0.530 18.478 19.000 0.013 0.000 0.816 301 A HN 0.456 nan 8.150 nan 0.000 0.444 302 G N -2.227 106.584 108.800 0.018 0.000 2.143 302 G HA2 -0.169 3.800 3.960 0.015 0.000 0.249 302 G HA3 -0.169 3.800 3.960 0.015 0.000 0.249 302 G C 0.456 175.378 174.900 0.037 0.000 0.981 302 G CA 0.481 45.593 45.100 0.020 0.000 0.665 302 G HN 2.342 nan 8.290 nan 0.000 0.528 303 C N -3.032 116.303 119.300 0.059 0.000 3.068 303 C HA 0.568 5.037 4.460 0.015 0.000 0.344 303 C C -0.304 174.776 174.990 0.151 0.000 1.223 303 C CA -1.317 57.761 59.018 0.101 0.000 1.153 303 C CB 0.288 28.077 27.740 0.082 0.000 1.396 303 C HN 1.470 nan 8.230 nan 0.000 0.485 304 F N 4.008 123.992 119.950 0.057 0.000 2.502 304 F HA 0.542 5.080 4.527 0.018 0.000 0.371 304 F C 0.918 176.751 175.800 0.056 0.000 1.083 304 F CA -0.846 57.175 58.000 0.034 0.000 1.174 304 F CB 0.743 39.748 39.000 0.008 0.000 1.096 304 F HN 0.632 nan 8.300 nan 0.000 0.545 305 M N 7.368 126.676 119.600 -0.486 0.000 3.705 305 M HA 0.072 4.561 4.480 0.015 0.000 0.191 305 M C -0.903 175.030 176.300 -0.612 0.000 1.570 305 M CA 0.697 55.748 55.300 -0.415 0.000 1.714 305 M CB -1.868 30.582 32.600 -0.249 0.000 1.148 305 M HN 0.683 nan 8.290 nan 0.000 0.547 306 H N -1.158 117.530 119.070 -0.637 0.000 3.046 306 H HA 0.650 5.216 4.556 0.016 0.000 0.361 306 H C -0.436 175.030 175.328 0.229 0.000 1.235 306 H CA -0.352 55.493 56.048 -0.337 0.000 1.146 306 H CB 2.056 31.399 29.762 -0.698 0.000 1.859 306 H HN 0.499 nan 8.280 nan 0.000 0.548 307 G N 3.807 112.863 108.800 0.426 0.000 2.902 307 G HA2 0.174 4.143 3.960 0.015 0.000 0.293 307 G HA3 0.174 4.143 3.960 0.015 0.000 0.293 307 G C -3.190 171.865 174.900 0.258 0.000 3.296 307 G CA -0.874 44.465 45.100 0.398 0.000 0.614 307 G HN 0.390 nan 8.290 nan 0.000 0.354 308 P HA 0.353 nan 4.420 nan 0.000 0.277 308 P C 1.315 178.706 177.300 0.152 0.000 1.240 308 P CA -0.202 63.033 63.100 0.225 0.000 0.798 308 P CB 1.223 33.080 31.700 0.262 0.000 0.979 309 T N 0.823 115.440 114.554 0.105 0.000 2.624 309 T HA -0.185 4.174 4.350 0.015 0.000 0.268 309 T C 0.919 175.579 174.700 -0.068 0.000 1.041 309 T CA 1.743 63.837 62.100 -0.009 0.000 1.159 309 T CB -0.775 68.050 68.868 -0.071 0.000 0.863 309 T HN 0.385 nan 8.240 nan 0.000 0.434 310 F N 0.891 120.878 119.950 0.062 0.000 2.701 310 F HA 0.388 4.924 4.527 0.015 0.000 0.295 310 F C 0.808 176.651 175.800 0.072 0.000 1.165 310 F CA -0.592 57.420 58.000 0.020 0.000 1.399 310 F CB -0.556 38.343 39.000 -0.169 0.000 0.996 310 F HN 0.132 nan 8.300 nan 0.000 0.513 311 M N 0.477 120.185 119.600 0.181 0.000 2.284 311 M HA 0.234 4.723 4.480 0.015 0.000 0.351 311 M C 1.213 177.397 176.300 -0.193 0.000 1.443 311 M CA 1.185 56.497 55.300 0.020 0.000 1.031 311 M CB 0.118 32.732 32.600 0.024 0.000 1.893 311 M HN 0.467 nan 8.290 nan 0.000 0.456 312 G N 3.710 112.272 108.800 -0.397 0.000 2.147 312 G HA2 -0.302 3.667 3.960 0.015 0.000 0.244 312 G HA3 -0.302 3.667 3.960 0.015 0.000 0.244 312 G C 0.085 174.915 174.900 -0.117 0.000 1.005 312 G CA 0.314 44.987 45.100 -0.712 0.000 0.713 312 G HN 0.994 nan 8.290 nan 0.000 0.515 313 N N 0.873 119.612 118.700 0.065 0.000 2.291 313 N HA 0.022 4.771 4.740 0.015 0.000 0.281 313 N C -0.338 175.222 175.510 0.085 0.000 1.388 313 N CA -0.202 52.976 53.050 0.214 0.000 0.920 313 N CB 0.734 39.294 38.487 0.120 0.000 1.276 313 N HN 0.118 nan 8.380 nan 0.000 0.493 314 P HA -0.211 nan 4.420 nan 0.000 0.216 314 P C 1.660 178.912 177.300 -0.080 0.000 1.154 314 P CA 0.683 63.641 63.100 -0.236 0.000 0.865 314 P CB 0.157 31.594 31.700 -0.438 0.000 0.789 315 L N -0.164 121.046 121.223 -0.022 0.000 1.989 315 L HA -0.153 4.196 4.340 0.015 0.000 0.211 315 L C 2.291 179.145 176.870 -0.027 0.000 1.071 315 L CA 2.383 57.210 54.840 -0.020 0.000 0.749 315 L CB -1.755 40.298 42.059 -0.009 0.000 0.890 315 L HN -0.078 nan 8.230 nan 0.000 0.431 316 A N -1.408 121.396 122.820 -0.026 0.000 1.877 316 A HA -0.247 4.082 4.320 0.015 0.000 0.216 316 A C 2.433 179.999 177.584 -0.030 0.000 1.186 316 A CA 1.839 53.855 52.037 -0.034 0.000 0.620 316 A CB -1.537 17.440 19.000 -0.039 0.000 0.822 316 A HN 0.644 nan 8.150 nan 0.000 0.443 317 C N -0.977 118.312 119.300 -0.018 0.000 2.403 317 C HA -0.056 4.413 4.460 0.015 0.000 0.277 317 C C 3.297 178.279 174.990 -0.013 0.000 1.248 317 C CA 0.934 59.948 59.018 -0.006 0.000 1.762 317 C CB -1.418 26.343 27.740 0.036 0.000 2.014 317 C HN 0.694 nan 8.230 nan 0.000 0.486 318 A N 0.170 122.977 122.820 -0.022 0.000 1.898 318 A HA 0.097 4.427 4.320 0.015 0.000 0.216 318 A C 2.369 179.930 177.584 -0.040 0.000 1.181 318 A CA 1.982 54.003 52.037 -0.027 0.000 0.620 318 A CB -0.870 18.112 19.000 -0.030 0.000 0.819 318 A HN 0.574 nan 8.150 nan 0.000 0.442 319 A N -0.104 122.689 122.820 -0.045 0.000 1.902 319 A HA 0.170 4.499 4.320 0.015 0.000 0.217 319 A C 2.495 180.030 177.584 -0.082 0.000 1.181 319 A CA 2.043 54.045 52.037 -0.060 0.000 0.623 319 A CB -0.987 17.981 19.000 -0.054 0.000 0.818 319 A HN 1.026 nan 8.150 nan 0.000 0.443 320 A N 0.372 123.145 122.820 -0.078 0.000 1.877 320 A HA -0.216 4.114 4.320 0.015 0.000 0.216 320 A C 1.930 179.448 177.584 -0.111 0.000 1.186 320 A CA 1.844 53.816 52.037 -0.109 0.000 0.620 320 A CB -0.692 18.256 19.000 -0.086 0.000 0.822 320 A HN 0.530 nan 8.150 nan 0.000 0.443 321 N N 0.534 119.192 118.700 -0.069 0.000 2.094 321 N HA -0.172 4.577 4.740 0.015 0.000 0.191 321 N C 1.853 177.316 175.510 -0.079 0.000 1.023 321 N CA 1.763 54.781 53.050 -0.054 0.000 0.857 321 N CB -0.602 37.870 38.487 -0.025 0.000 1.013 321 N HN 0.495 nan 8.380 nan 0.000 0.426 322 A N -0.050 122.711 122.820 -0.099 0.000 1.898 322 A HA -0.094 4.235 4.320 0.015 0.000 0.216 322 A C 2.474 179.917 177.584 -0.234 0.000 1.181 322 A CA 1.863 53.815 52.037 -0.141 0.000 0.620 322 A CB -0.901 18.018 19.000 -0.134 0.000 0.819 322 A HN 0.322 nan 8.150 nan 0.000 0.442 323 S N -0.441 115.122 115.700 -0.228 0.000 2.368 323 S HA -0.090 4.389 4.470 0.015 0.000 0.225 323 S C 1.897 176.411 174.600 -0.142 0.000 1.030 323 S CA 1.463 59.522 58.200 -0.235 0.000 0.999 323 S CB -0.472 62.676 63.200 -0.085 0.000 0.844 323 S HN 0.483 nan 8.310 nan 0.000 0.459 324 L N 0.986 122.116 121.223 -0.155 0.000 2.141 324 L HA 0.008 4.357 4.340 0.015 0.000 0.209 324 L C 2.853 179.695 176.870 -0.046 0.000 1.094 324 L CA 0.978 55.753 54.840 -0.107 0.000 0.763 324 L CB -0.601 41.410 42.059 -0.081 0.000 0.908 324 L HN 0.380 nan 8.230 nan 0.000 0.437 325 A N 0.458 123.232 122.820 -0.076 0.000 1.933 325 A HA -0.158 4.171 4.320 0.015 0.000 0.218 325 A C 2.212 179.768 177.584 -0.046 0.000 1.175 325 A CA 1.426 53.434 52.037 -0.047 0.000 0.628 325 A CB -0.582 18.382 19.000 -0.060 0.000 0.814 325 A HN 0.354 nan 8.150 nan 0.000 0.444 326 I N -0.362 120.123 120.570 -0.142 0.000 2.315 326 I HA -0.241 3.938 4.170 0.015 0.000 0.248 326 I C 2.215 178.373 176.117 0.068 0.000 1.117 326 I CA 0.979 62.193 61.300 -0.144 0.000 1.404 326 I CB -0.301 37.367 38.000 -0.553 0.000 1.071 326 I HN 0.270 nan 8.210 nan 0.000 0.419 327 L N 0.352 121.652 121.223 0.129 0.000 2.131 327 L HA -0.176 4.173 4.340 0.015 0.000 0.210 327 L C 2.535 179.593 176.870 0.314 0.000 1.092 327 L CA 1.076 56.084 54.840 0.281 0.000 0.759 327 L CB -0.713 41.404 42.059 0.097 0.000 0.903 327 L HN 0.275 nan 8.230 nan 0.000 0.435 328 E N -0.431 119.873 120.200 0.173 0.000 2.209 328 E HA -0.234 4.125 4.350 0.015 0.000 0.196 328 E C 2.264 178.948 176.600 0.141 0.000 0.993 328 E CA 1.331 57.824 56.400 0.154 0.000 0.819 328 E CB -0.333 29.422 29.700 0.092 0.000 0.745 328 E HN 0.375 nan 8.360 nan 0.000 0.477 329 S N -0.316 115.462 115.700 0.130 0.000 2.402 329 S HA -0.142 4.338 4.470 0.015 0.000 0.233 329 S C 1.690 176.340 174.600 0.084 0.000 1.030 329 S CA 1.928 60.186 58.200 0.097 0.000 1.003 329 S CB -0.373 62.885 63.200 0.096 0.000 0.813 329 S HN 0.565 nan 8.310 nan 0.000 0.477 330 G N 0.459 109.343 108.800 0.140 0.000 2.199 330 G HA2 -0.249 3.721 3.960 0.015 0.000 0.254 330 G HA3 -0.249 3.721 3.960 0.015 0.000 0.254 330 G C 0.439 175.224 174.900 -0.191 0.000 0.982 330 G CA 0.678 45.765 45.100 -0.022 0.000 0.632 330 G HN 0.542 nan 8.290 nan 0.000 0.529 331 D N 0.325 120.723 120.400 -0.005 0.000 2.228 331 D HA -0.131 4.518 4.640 0.015 0.000 0.203 331 D C 2.305 178.599 176.300 -0.011 0.000 0.988 331 D CA 1.479 55.477 54.000 -0.003 0.000 0.864 331 D CB -0.520 40.337 40.800 0.095 0.000 0.928 331 D HN 0.883 nan 8.370 nan 0.000 0.469 332 W N 1.548 122.891 121.300 0.071 0.000 2.350 332 W HA -0.171 4.485 4.660 -0.006 0.000 0.289 332 W C 1.615 178.070 176.519 -0.108 0.000 1.215 332 W CA 0.541 57.899 57.345 0.022 0.000 1.236 332 W CB -0.994 28.534 29.460 0.114 0.000 1.130 332 W HN 0.031 nan 8.180 nan 0.000 0.541 333 Q N 0.527 119.751 119.800 -0.961 0.000 2.084 333 Q HA -0.221 4.128 4.340 0.015 0.000 0.202 333 Q C 2.384 178.165 176.000 -0.365 0.000 0.978 333 Q CA 1.574 56.814 55.803 -0.939 0.000 0.844 333 Q CB -0.282 27.794 28.738 -1.103 0.000 0.898 333 Q HN 0.337 nan 8.270 nan 0.000 0.426 334 Q N -0.362 119.276 119.800 -0.270 0.000 2.398 334 Q HA -0.022 4.327 4.340 0.015 0.000 0.204 334 Q C 1.764 177.715 176.000 -0.082 0.000 0.932 334 Q CA 0.372 56.087 55.803 -0.146 0.000 0.916 334 Q CB 0.377 29.042 28.738 -0.121 0.000 1.024 334 Q HN 0.458 nan 8.270 nan 0.000 0.504 335 Q N -0.510 119.252 119.800 -0.062 0.000 2.049 335 Q HA -0.092 4.257 4.340 0.015 0.000 0.198 335 Q C 2.082 178.059 176.000 -0.039 0.000 0.971 335 Q CA 1.334 57.134 55.803 -0.005 0.000 0.833 335 Q CB 0.347 29.131 28.738 0.076 0.000 0.896 335 Q HN 0.179 nan 8.270 nan 0.000 0.434 336 V N 0.605 120.453 119.914 -0.111 0.000 2.379 336 V HA -0.214 3.915 4.120 0.015 0.000 0.245 336 V C 2.243 178.304 176.094 -0.055 0.000 1.044 336 V CA 1.666 63.885 62.300 -0.136 0.000 1.036 336 V CB -0.913 30.806 31.823 -0.173 0.000 0.664 336 V HN 0.359 nan 8.190 nan 0.000 0.453 337 A N -0.093 122.693 122.820 -0.056 0.000 1.933 337 A HA -0.255 4.074 4.320 0.015 0.000 0.218 337 A C 1.956 179.526 177.584 -0.024 0.000 1.175 337 A CA 2.145 54.160 52.037 -0.037 0.000 0.628 337 A CB -0.564 18.401 19.000 -0.058 0.000 0.814 337 A HN 0.530 nan 8.150 nan 0.000 0.444 338 D N -0.071 120.314 120.400 -0.025 0.000 2.103 338 D HA -0.061 4.588 4.640 0.015 0.000 0.199 338 D C 1.836 178.136 176.300 0.000 0.000 0.978 338 D CA 1.023 55.017 54.000 -0.011 0.000 0.829 338 D CB -0.314 40.481 40.800 -0.008 0.000 0.981 338 D HN 0.487 nan 8.370 nan 0.000 0.464 339 I N 0.929 121.501 120.570 0.004 0.000 2.264 339 I HA -0.247 3.932 4.170 0.015 0.000 0.248 339 I C 2.365 178.489 176.117 0.012 0.000 1.111 339 I CA 1.087 62.396 61.300 0.015 0.000 1.382 339 I CB -0.246 37.771 38.000 0.027 0.000 1.060 339 I HN 0.080 nan 8.210 nan 0.000 0.418 340 E N 0.949 121.153 120.200 0.007 0.000 2.085 340 E HA -0.200 4.159 4.350 0.015 0.000 0.194 340 E C 2.343 178.949 176.600 0.009 0.000 0.994 340 E CA 1.467 57.873 56.400 0.011 0.000 0.801 340 E CB 0.145 29.851 29.700 0.010 0.000 0.743 340 E HN 0.288 nan 8.360 nan 0.000 0.453 341 V N 0.912 120.829 119.914 0.005 0.000 2.287 341 V HA -0.314 3.815 4.120 0.015 0.000 0.248 341 V C 2.527 178.626 176.094 0.008 0.000 1.053 341 V CA 2.333 64.636 62.300 0.005 0.000 1.027 341 V CB -0.592 31.232 31.823 0.001 0.000 0.646 341 V HN 0.352 nan 8.190 nan 0.000 0.447 342 Q N -0.785 119.021 119.800 0.009 0.000 2.079 342 Q HA -0.141 4.209 4.340 0.015 0.000 0.200 342 Q C 2.278 178.285 176.000 0.012 0.000 0.974 342 Q CA 1.564 57.373 55.803 0.010 0.000 0.840 342 Q CB -0.139 28.605 28.738 0.010 0.000 0.898 342 Q HN 0.588 nan 8.270 nan 0.000 0.430 343 L N 0.167 121.398 121.223 0.013 0.000 2.042 343 L HA -0.241 4.108 4.340 0.015 0.000 0.210 343 L C 2.593 179.474 176.870 0.018 0.000 1.076 343 L CA 1.275 56.124 54.840 0.015 0.000 0.749 343 L CB -0.429 41.641 42.059 0.018 0.000 0.893 343 L HN 0.232 nan 8.230 nan 0.000 0.432 344 R N -0.215 120.295 120.500 0.016 0.000 2.083 344 R HA -0.216 4.133 4.340 0.015 0.000 0.237 344 R C 2.100 178.410 176.300 0.017 0.000 1.137 344 R CA 1.667 57.777 56.100 0.016 0.000 0.951 344 R CB -0.423 29.885 30.300 0.013 0.000 0.851 344 R HN 0.482 nan 8.270 nan 0.000 0.434 345 E N 1.099 121.308 120.200 0.015 0.000 2.006 345 E HA -0.182 4.177 4.350 0.015 0.000 0.192 345 E C 1.950 178.561 176.600 0.018 0.000 0.993 345 E CA 1.159 57.568 56.400 0.015 0.000 0.808 345 E CB 0.136 29.843 29.700 0.012 0.000 0.764 345 E HN 0.351 nan 8.360 nan 0.000 0.449 346 Q N -0.139 119.672 119.800 0.017 0.000 2.435 346 Q HA 0.011 4.360 4.340 0.015 0.000 0.207 346 Q C 1.926 177.942 176.000 0.026 0.000 0.956 346 Q CA 0.348 56.163 55.803 0.020 0.000 0.917 346 Q CB 0.252 29.000 28.738 0.017 0.000 0.997 346 Q HN 0.325 nan 8.270 nan 0.000 0.497 347 L N -0.018 121.221 121.223 0.026 0.000 2.558 347 L HA 0.110 4.459 4.340 0.015 0.000 0.225 347 L C 2.155 179.046 176.870 0.034 0.000 1.128 347 L CA -0.028 54.832 54.840 0.033 0.000 0.868 347 L CB -0.218 41.861 42.059 0.033 0.000 1.006 347 L HN 0.200 nan 8.230 nan 0.000 0.454 348 A N 1.300 124.137 122.820 0.029 0.000 1.908 348 A HA -0.127 4.202 4.320 0.015 0.000 0.218 348 A C -0.126 177.475 177.584 0.028 0.000 1.181 348 A CA 1.472 53.525 52.037 0.026 0.000 0.627 348 A CB -1.634 17.379 19.000 0.022 0.000 0.818 348 A HN 0.258 nan 8.150 nan 0.000 0.445 349 P HA -0.145 nan 4.420 nan 0.000 0.218 349 P C 1.574 178.895 177.300 0.035 0.000 1.146 349 P CA 1.674 64.793 63.100 0.032 0.000 0.813 349 P CB -0.127 31.595 31.700 0.037 0.000 0.778 350 A N 0.812 123.657 122.820 0.042 0.000 2.024 350 A HA -0.238 4.091 4.320 0.015 0.000 0.220 350 A C 1.996 179.601 177.584 0.035 0.000 1.164 350 A CA 1.397 53.463 52.037 0.048 0.000 0.643 350 A CB -1.015 18.021 19.000 0.060 0.000 0.806 350 A HN 0.283 nan 8.150 nan 0.000 0.451 351 R N -0.460 120.057 120.500 0.029 0.000 2.339 351 R HA 0.033 4.382 4.340 0.015 0.000 0.199 351 R C 0.023 176.331 176.300 0.014 0.000 1.018 351 R CA 1.043 57.156 56.100 0.021 0.000 1.036 351 R CB -0.265 30.047 30.300 0.020 0.000 0.899 351 R HN 0.372 nan 8.270 nan 0.000 0.473 352 D N 1.088 121.497 120.400 0.015 0.000 2.369 352 D HA 0.134 4.784 4.640 0.015 0.000 0.211 352 D C -0.042 176.260 176.300 0.003 0.000 1.077 352 D CA 0.092 54.097 54.000 0.009 0.000 0.842 352 D CB 0.736 41.543 40.800 0.011 0.000 0.947 352 D HN 0.244 nan 8.370 nan 0.000 0.509 353 A N 1.135 123.958 122.820 0.006 0.000 2.409 353 A HA 0.083 4.412 4.320 0.015 0.000 0.262 353 A C 1.342 178.908 177.584 -0.030 0.000 1.113 353 A CA -0.229 51.805 52.037 -0.006 0.000 0.790 353 A CB 0.861 19.868 19.000 0.011 0.000 1.046 353 A HN -0.049 nan 8.150 nan 0.000 0.496 354 E N 1.642 121.813 120.200 -0.048 0.000 2.118 354 E HA -0.209 4.150 4.350 0.015 0.000 0.195 354 E C 1.029 177.576 176.600 -0.090 0.000 0.992 354 E CA 1.507 57.870 56.400 -0.061 0.000 0.804 354 E CB -0.014 29.645 29.700 -0.068 0.000 0.741 354 E HN 0.777 nan 8.360 nan 0.000 0.458 355 M N -0.048 119.460 119.600 -0.154 0.000 2.618 355 M HA 0.002 4.491 4.480 0.015 0.000 0.240 355 M C -0.109 176.096 176.300 -0.158 0.000 1.123 355 M CA 0.298 55.439 55.300 -0.265 0.000 1.060 355 M CB 0.801 33.008 32.600 -0.655 0.000 1.535 355 M HN -0.278 nan 8.290 nan 0.000 0.507 356 V N 0.389 120.261 119.914 -0.069 0.000 2.383 356 V HA 0.393 4.522 4.120 0.015 0.000 0.275 356 V C 0.993 177.083 176.094 -0.008 0.000 1.036 356 V CA -0.179 62.115 62.300 -0.009 0.000 0.889 356 V CB 0.773 32.608 31.823 0.019 0.000 0.985 356 V HN 0.342 nan 8.190 nan 0.000 0.459 357 A N 3.808 126.630 122.820 0.003 0.000 1.878 357 A HA 0.138 4.467 4.320 0.015 0.000 0.213 357 A C 0.737 178.329 177.584 0.013 0.000 1.192 357 A CA 1.132 53.167 52.037 -0.002 0.000 0.619 357 A CB -0.015 18.981 19.000 -0.006 0.000 0.837 357 A HN 0.790 nan 8.150 nan 0.000 0.446 358 D N -2.896 117.521 120.400 0.029 0.000 2.655 358 D HA 0.502 5.151 4.640 0.015 0.000 0.229 358 D C -1.726 174.601 176.300 0.046 0.000 1.229 358 D CA -0.238 53.782 54.000 0.034 0.000 0.807 358 D CB 2.156 42.977 40.800 0.035 0.000 1.514 358 D HN -0.017 nan 8.370 nan 0.000 0.444 359 V N 2.709 122.649 119.914 0.042 0.000 2.488 359 V HA 0.629 4.758 4.120 0.015 0.000 0.293 359 V C -0.822 175.296 176.094 0.040 0.000 1.027 359 V CA -0.692 61.635 62.300 0.046 0.000 0.862 359 V CB 1.255 33.103 31.823 0.042 0.000 1.008 359 V HN 0.555 nan 8.190 nan 0.000 0.428 360 R N 3.671 124.197 120.500 0.043 0.000 2.744 360 R HA 0.931 5.281 4.340 0.015 0.000 0.279 360 R C -1.488 174.832 176.300 0.034 0.000 0.977 360 R CA -0.867 55.254 56.100 0.035 0.000 0.906 360 R CB 2.358 32.679 30.300 0.035 0.000 1.197 360 R HN 0.303 nan 8.270 nan 0.000 0.463 361 V N 2.542 122.471 119.914 0.025 0.000 2.709 361 V HA 0.584 4.713 4.120 0.015 0.000 0.308 361 V C -1.452 174.650 176.094 0.014 0.000 1.062 361 V CA -0.782 61.532 62.300 0.024 0.000 0.901 361 V CB 2.043 33.880 31.823 0.022 0.000 1.003 361 V HN 0.593 nan 8.190 nan 0.000 0.425 362 L N 4.147 125.383 121.223 0.022 0.000 2.516 362 L HA 0.834 5.183 4.340 0.015 0.000 0.267 362 L C 0.424 177.324 176.870 0.050 0.000 0.957 362 L CA 1.298 56.147 54.840 0.015 0.000 0.860 362 L CB 1.401 43.454 42.059 -0.010 0.000 1.265 362 L HN 1.015 nan 8.230 nan 0.000 0.403 363 G N 3.791 112.621 108.800 0.050 0.000 2.614 363 G HA2 -0.178 3.791 3.960 0.015 0.000 0.303 363 G HA3 -0.178 3.791 3.960 0.015 0.000 0.303 363 G C 0.438 175.366 174.900 0.046 0.000 1.270 363 G CA 0.396 45.532 45.100 0.059 0.000 0.988 363 G HN 1.686 nan 8.290 nan 0.000 0.551 364 A N -0.005 122.847 122.820 0.054 0.000 3.197 364 A HA 0.654 4.983 4.320 0.015 0.000 0.263 364 A C 0.339 177.961 177.584 0.064 0.000 1.524 364 A CA 0.031 52.104 52.037 0.059 0.000 1.176 364 A CB -0.612 18.437 19.000 0.083 0.000 1.096 364 A HN 0.759 nan 8.150 nan 0.000 0.655 365 I N 0.810 121.412 120.570 0.053 0.000 2.448 365 I HA 0.389 4.568 4.170 0.015 0.000 0.281 365 I C 0.453 176.593 176.117 0.038 0.000 1.027 365 I CA -0.500 60.819 61.300 0.033 0.000 1.111 365 I CB 1.975 40.011 38.000 0.059 0.000 1.236 365 I HN 0.331 nan 8.210 nan 0.000 0.452 366 G N 5.948 114.773 108.800 0.042 0.000 2.384 366 G HA2 0.604 4.573 3.960 0.015 0.000 0.316 366 G HA3 0.604 4.573 3.960 0.015 0.000 0.316 366 G C -0.704 174.249 174.900 0.089 0.000 1.160 366 G CA -0.331 44.799 45.100 0.050 0.000 0.936 366 G HN 0.305 nan 8.290 nan 0.000 0.455 367 V N 2.621 122.584 119.914 0.082 0.000 2.495 367 V HA 0.515 4.644 4.120 0.015 0.000 0.298 367 V C -0.357 175.798 176.094 0.102 0.000 1.031 367 V CA -0.800 61.565 62.300 0.109 0.000 0.871 367 V CB 1.846 33.707 31.823 0.063 0.000 0.988 367 V HN 0.469 nan 8.190 nan 0.000 0.432 368 V N 4.118 124.112 119.914 0.134 0.000 2.357 368 V HA 0.346 4.476 4.120 0.015 0.000 0.281 368 V C -0.037 176.146 176.094 0.149 0.000 1.015 368 V CA -0.473 61.901 62.300 0.125 0.000 0.827 368 V CB 1.541 33.441 31.823 0.128 0.000 1.018 368 V HN 1.000 nan 8.190 nan 0.000 0.432 369 E N 3.609 123.879 120.200 0.117 0.000 2.283 369 E HA 0.506 4.866 4.350 0.015 0.000 0.278 369 E C 0.198 176.862 176.600 0.106 0.000 1.027 369 E CA -0.352 56.116 56.400 0.115 0.000 0.843 369 E CB 1.295 31.042 29.700 0.078 0.000 1.062 369 E HN 0.777 nan 8.360 nan 0.000 0.401 370 T N 0.395 115.030 114.554 0.136 0.000 2.893 370 T HA 0.214 4.574 4.350 0.015 0.000 0.279 370 T C 1.177 175.895 174.700 0.030 0.000 0.991 370 T CA -0.037 62.127 62.100 0.107 0.000 0.950 370 T CB 1.261 70.288 68.868 0.264 0.000 1.223 370 T HN 0.536 nan 8.240 nan 0.000 0.585 371 T N -2.916 111.618 114.554 -0.034 0.000 3.065 371 T HA 0.190 4.549 4.350 0.015 0.000 0.252 371 T C 0.419 174.888 174.700 -0.384 0.000 1.099 371 T CA 0.133 62.131 62.100 -0.170 0.000 1.063 371 T CB -0.429 68.335 68.868 -0.173 0.000 0.948 371 T HN 0.739 nan 8.240 nan 0.000 0.506 372 H N 0.609 119.693 119.070 0.022 0.000 2.980 372 H HA 0.388 4.953 4.556 0.015 0.000 0.367 372 H C -3.068 172.353 175.328 0.155 0.000 1.206 372 H CA -2.294 53.796 56.048 0.069 0.000 1.126 372 H CB 1.650 31.449 29.762 0.061 0.000 1.838 372 H HN -0.021 nan 8.280 nan 0.000 0.552 373 P HA -0.067 nan 4.420 nan 0.000 0.266 373 P C 0.157 177.555 177.300 0.163 0.000 1.195 373 P CA -0.139 63.033 63.100 0.121 0.000 0.768 373 P CB 0.502 32.228 31.700 0.044 0.000 0.838 374 V N 0.233 120.179 119.914 0.054 0.000 2.924 374 V HA 0.221 4.350 4.120 0.015 0.000 0.305 374 V C 0.727 176.751 176.094 -0.117 0.000 1.073 374 V CA -0.494 61.734 62.300 -0.120 0.000 1.098 374 V CB 0.395 32.110 31.823 -0.180 0.000 1.000 374 V HN 0.443 nan 8.190 nan 0.000 0.484 375 N N 4.046 122.633 118.700 -0.189 0.000 2.807 375 N HA 0.138 4.887 4.740 0.015 0.000 0.259 375 N C 0.955 176.403 175.510 -0.103 0.000 1.149 375 N CA -0.294 52.696 53.050 -0.099 0.000 1.042 375 N CB 0.439 38.888 38.487 -0.065 0.000 1.367 375 N HN 0.764 nan 8.380 nan 0.000 0.516 376 M N 1.335 120.889 119.600 -0.076 0.000 2.308 376 M HA -0.284 4.205 4.480 0.015 0.000 0.257 376 M C 1.949 178.226 176.300 -0.038 0.000 1.070 376 M CA 2.004 57.274 55.300 -0.051 0.000 1.080 376 M CB -1.679 30.924 32.600 0.004 0.000 1.274 376 M HN 0.552 nan 8.290 nan 0.000 0.434 377 A N -0.226 122.595 122.820 0.000 0.000 1.873 377 A HA -0.092 4.237 4.320 0.015 0.000 0.218 377 A C 2.429 180.024 177.584 0.018 0.000 1.193 377 A CA 3.022 55.076 52.037 0.028 0.000 0.629 377 A CB -1.158 17.860 19.000 0.029 0.000 0.826 377 A HN 0.585 nan 8.150 nan 0.000 0.447 378 A N -0.766 122.059 122.820 0.008 0.000 1.845 378 A HA -0.001 4.328 4.320 0.015 0.000 0.215 378 A C 2.135 179.674 177.584 -0.075 0.000 1.195 378 A CA 1.781 53.856 52.037 0.064 0.000 0.616 378 A CB -0.821 18.263 19.000 0.141 0.000 0.832 378 A HN 0.628 nan 8.150 nan 0.000 0.443 379 L N 0.478 121.549 121.223 -0.254 0.000 1.971 379 L HA -0.275 4.074 4.340 0.015 0.000 0.215 379 L C 2.730 179.190 176.870 -0.684 0.000 1.072 379 L CA 2.869 57.273 54.840 -0.727 0.000 0.758 379 L CB -1.120 40.569 42.059 -0.616 0.000 0.889 379 L HN 0.707 nan 8.230 nan 0.000 0.433 380 Q N -0.857 118.732 119.800 -0.352 0.000 2.133 380 Q HA -0.296 4.053 4.340 0.015 0.000 0.208 380 Q C 2.129 178.000 176.000 -0.215 0.000 0.991 380 Q CA 2.059 57.709 55.803 -0.256 0.000 0.867 380 Q CB -0.312 28.380 28.738 -0.076 0.000 0.911 380 Q HN 0.381 nan 8.270 nan 0.000 0.417 381 K N 0.118 120.473 120.400 -0.075 0.000 2.097 381 K HA -0.105 4.224 4.320 0.015 0.000 0.205 381 K C 1.920 178.472 176.600 -0.081 0.000 1.050 381 K CA 1.049 57.356 56.287 0.034 0.000 0.938 381 K CB -0.609 31.970 32.500 0.132 0.000 0.718 381 K HN 0.324 nan 8.250 nan 0.000 0.442 382 F N 0.487 120.197 119.950 -0.401 0.000 2.171 382 F HA -0.135 4.400 4.527 0.015 0.000 0.300 382 F C 1.867 177.454 175.800 -0.354 0.000 1.090 382 F CA 1.300 59.020 58.000 -0.466 0.000 1.293 382 F CB -0.421 37.941 39.000 -1.063 0.000 1.013 382 F HN -0.051 nan 8.300 nan 0.000 0.486 383 F N -0.392 119.303 119.950 -0.425 0.000 2.102 383 F HA -0.241 4.296 4.527 0.016 0.000 0.298 383 F C 2.397 177.947 175.800 -0.418 0.000 1.105 383 F CA 1.062 58.767 58.000 -0.492 0.000 1.239 383 F CB -0.827 37.914 39.000 -0.431 0.000 0.991 383 F HN -0.230 nan 8.300 nan 0.000 0.474 384 V N 0.396 120.209 119.914 -0.168 0.000 2.250 384 V HA -0.375 3.754 4.120 0.015 0.000 0.250 384 V C 2.018 178.027 176.094 -0.141 0.000 1.060 384 V CA 2.273 64.472 62.300 -0.169 0.000 1.030 384 V CB -0.724 30.921 31.823 -0.296 0.000 0.643 384 V HN 0.348 nan 8.190 nan 0.000 0.445 385 E N -0.621 119.477 120.200 -0.170 0.000 2.209 385 E HA -0.245 4.114 4.350 0.015 0.000 0.196 385 E C 2.193 178.662 176.600 -0.218 0.000 0.993 385 E CA 1.063 57.367 56.400 -0.160 0.000 0.819 385 E CB -0.114 29.496 29.700 -0.150 0.000 0.745 385 E HN 0.533 nan 8.360 nan 0.000 0.477 386 Q N -0.977 118.631 119.800 -0.320 0.000 2.451 386 Q HA 0.047 4.396 4.340 0.015 0.000 0.206 386 Q C 1.190 177.097 176.000 -0.155 0.000 0.947 386 Q CA 0.864 56.498 55.803 -0.282 0.000 0.937 386 Q CB 0.818 29.344 28.738 -0.353 0.000 1.025 386 Q HN 0.411 nan 8.270 nan 0.000 0.511 387 G N 0.419 109.146 108.800 -0.122 0.000 2.136 387 G HA2 -0.246 3.724 3.960 0.015 0.000 0.242 387 G HA3 -0.246 3.724 3.960 0.015 0.000 0.242 387 G C 0.193 175.047 174.900 -0.078 0.000 0.989 387 G CA 0.429 45.480 45.100 -0.082 0.000 0.682 387 G HN 0.377 nan 8.290 nan 0.000 0.522 388 V N -4.086 115.771 119.914 -0.096 0.000 2.914 388 V HA 0.863 4.992 4.120 0.015 0.000 0.314 388 V C -0.070 175.991 176.094 -0.055 0.000 1.084 388 V CA -1.616 60.620 62.300 -0.106 0.000 0.963 388 V CB 2.194 33.890 31.823 -0.211 0.000 1.025 388 V HN 0.611 nan 8.190 nan 0.000 0.432 389 W N 5.599 126.756 121.300 -0.239 0.000 2.296 389 W HA 0.688 5.356 4.660 0.014 0.000 0.316 389 W C -1.688 174.647 176.519 -0.306 0.000 1.022 389 W CA -0.807 56.388 57.345 -0.250 0.000 1.324 389 W CB 1.385 30.709 29.460 -0.226 0.000 1.227 389 W HN 0.629 nan 8.180 nan 0.000 0.409 390 I N 6.283 126.340 120.570 -0.855 0.000 2.418 390 I HA 0.264 4.443 4.170 0.015 0.000 0.287 390 I C -0.162 175.435 176.117 -0.866 0.000 1.008 390 I CA -0.955 59.821 61.300 -0.875 0.000 1.104 390 I CB 2.017 39.269 38.000 -1.246 0.000 1.264 390 I HN 0.225 nan 8.210 nan 0.000 0.438 391 R N 9.000 129.073 120.500 -0.711 0.000 2.247 391 R HA 0.463 4.812 4.340 0.015 0.000 0.329 391 R C -2.579 173.582 176.300 -0.232 0.000 1.014 391 R CA -1.734 54.079 56.100 -0.477 0.000 0.907 391 R CB 0.688 30.804 30.300 -0.306 0.000 1.146 391 R HN 0.309 nan 8.270 nan 0.000 0.499 392 P HA 0.251 nan 4.420 nan 0.000 0.276 392 P C -1.225 176.212 177.300 0.227 0.000 1.252 392 P CA -0.274 62.855 63.100 0.048 0.000 0.802 392 P CB 0.805 32.536 31.700 0.052 0.000 1.035 393 F N -0.662 119.374 119.950 0.142 0.000 2.608 393 F HA 0.473 5.010 4.527 0.016 0.000 0.309 393 F C 0.934 176.812 175.800 0.130 0.000 1.103 393 F CA 0.754 58.845 58.000 0.152 0.000 0.954 393 F CB 1.615 40.740 39.000 0.208 0.000 1.267 393 F HN 0.697 nan 8.300 nan 0.000 0.444 394 G N 4.807 113.110 108.800 -0.830 0.000 2.700 394 G HA2 -0.388 3.581 3.960 0.015 0.000 0.350 394 G HA3 -0.388 3.581 3.960 0.015 0.000 0.350 394 G C 0.555 175.385 174.900 -0.116 0.000 1.250 394 G CA 1.044 45.817 45.100 -0.546 0.000 0.978 394 G HN 0.751 nan 8.290 nan 0.000 0.551 395 K N 0.392 120.789 120.400 -0.005 0.000 2.577 395 K HA 0.457 4.786 4.320 0.015 0.000 0.210 395 K C -0.134 176.558 176.600 0.153 0.000 1.048 395 K CA -0.053 56.288 56.287 0.090 0.000 1.188 395 K CB 0.086 32.623 32.500 0.061 0.000 0.910 395 K HN 0.281 nan 8.250 nan 0.000 0.483 396 L N 1.152 122.496 121.223 0.201 0.000 2.410 396 L HA 0.512 4.861 4.340 0.015 0.000 0.270 396 L C -0.606 176.458 176.870 0.324 0.000 0.983 396 L CA -0.838 54.168 54.840 0.277 0.000 0.822 396 L CB 2.090 44.338 42.059 0.315 0.000 1.285 396 L HN -0.028 nan 8.230 nan 0.000 0.409 397 I N 3.736 124.476 120.570 0.282 0.000 2.355 397 I HA 0.375 4.554 4.170 0.015 0.000 0.288 397 I C -0.982 175.268 176.117 0.221 0.000 0.999 397 I CA -0.505 60.917 61.300 0.204 0.000 1.163 397 I CB 0.876 38.995 38.000 0.199 0.000 1.316 397 I HN 0.449 nan 8.210 nan 0.000 0.454 398 Y N 5.490 125.795 120.300 0.007 0.000 2.581 398 Y HA 0.854 5.414 4.550 0.016 0.000 0.345 398 Y C -1.723 174.118 175.900 -0.098 0.000 1.036 398 Y CA -1.589 56.492 58.100 -0.032 0.000 1.042 398 Y CB 1.248 39.698 38.460 -0.016 0.000 1.289 398 Y HN 0.214 nan 8.280 nan 0.000 0.471 399 L N 4.041 125.266 121.223 0.004 0.000 2.386 399 L HA 0.632 4.981 4.340 0.015 0.000 0.271 399 L C -0.676 176.166 176.870 -0.046 0.000 0.993 399 L CA -1.165 53.613 54.840 -0.102 0.000 0.819 399 L CB 2.119 44.118 42.059 -0.100 0.000 1.294 399 L HN 0.963 nan 8.230 nan 0.000 0.414 400 M N 1.791 121.334 119.600 -0.095 0.000 2.769 400 M HA 0.409 4.899 4.480 0.015 0.000 0.309 400 M C -2.996 173.277 176.300 -0.045 0.000 1.427 400 M CA -1.220 54.023 55.300 -0.095 0.000 0.657 400 M CB 1.191 33.624 32.600 -0.278 0.000 1.947 400 M HN 0.082 nan 8.290 nan 0.000 0.396 401 P HA 0.568 nan 4.420 nan 0.000 0.279 401 P C -2.742 174.603 177.300 0.076 0.000 1.276 401 P CA -1.259 61.859 63.100 0.030 0.000 0.801 401 P CB -0.024 31.694 31.700 0.031 0.000 1.127 402 P HA 0.012 nan 4.420 nan 0.000 0.269 402 P C 0.762 178.170 177.300 0.180 0.000 1.209 402 P CA 0.302 63.409 63.100 0.012 0.000 0.776 402 P CB -0.137 31.560 31.700 -0.004 0.000 0.876 403 Y N 1.871 122.191 120.300 0.033 0.000 2.333 403 Y HA -0.123 4.438 4.550 0.018 0.000 0.290 403 Y C 2.012 177.960 175.900 0.081 0.000 1.144 403 Y CA 0.715 58.858 58.100 0.072 0.000 1.228 403 Y CB -1.655 36.868 38.460 0.106 0.000 0.985 403 Y HN 0.327 nan 8.280 nan 0.000 0.542 404 I N -1.939 118.768 120.570 0.229 0.000 3.001 404 I HA -0.001 4.178 4.170 0.015 0.000 0.268 404 I C 1.073 177.259 176.117 0.114 0.000 1.267 404 I CA 0.314 61.710 61.300 0.161 0.000 1.472 404 I CB -0.360 37.723 38.000 0.139 0.000 1.089 404 I HN -0.025 nan 8.210 nan 0.000 0.468 405 I N 2.682 123.318 120.570 0.110 0.000 2.775 405 I HA -0.009 4.170 4.170 0.015 0.000 0.290 405 I C 0.068 176.219 176.117 0.057 0.000 1.203 405 I CA 0.064 61.409 61.300 0.075 0.000 1.433 405 I CB 0.454 38.493 38.000 0.065 0.000 1.354 405 I HN 0.179 nan 8.210 nan 0.000 0.579 406 L N 9.465 130.713 121.223 0.041 0.000 2.397 406 L HA 0.167 4.516 4.340 0.015 0.000 0.271 406 L C -1.464 175.419 176.870 0.022 0.000 1.148 406 L CA -1.401 53.456 54.840 0.030 0.000 0.825 406 L CB 0.450 42.522 42.059 0.022 0.000 1.117 406 L HN 0.520 nan 8.230 nan 0.000 0.456 407 P HA -0.264 nan 4.420 nan 0.000 0.216 407 P C 1.369 178.674 177.300 0.008 0.000 1.154 407 P CA 1.200 64.308 63.100 0.014 0.000 0.865 407 P CB 0.109 31.816 31.700 0.012 0.000 0.789 408 Q N -0.383 119.421 119.800 0.007 0.000 2.181 408 Q HA -0.251 4.098 4.340 0.015 0.000 0.205 408 Q C 2.115 178.114 176.000 -0.002 0.000 0.980 408 Q CA 1.607 57.412 55.803 0.002 0.000 0.862 408 Q CB -0.457 28.282 28.738 0.002 0.000 0.905 408 Q HN 0.312 nan 8.270 nan 0.000 0.429 409 Q N -0.206 119.594 119.800 0.001 0.000 2.033 409 Q HA -0.105 4.244 4.340 0.015 0.000 0.196 409 Q C 2.151 178.143 176.000 -0.013 0.000 0.970 409 Q CA 1.097 56.897 55.803 -0.005 0.000 0.828 409 Q CB -0.108 28.634 28.738 0.006 0.000 0.895 409 Q HN 0.360 nan 8.270 nan 0.000 0.440 410 L N 1.478 122.698 121.223 -0.005 0.000 2.043 410 L HA -0.276 4.073 4.340 0.015 0.000 0.212 410 L C 2.311 179.170 176.870 -0.018 0.000 1.075 410 L CA 1.912 56.745 54.840 -0.010 0.000 0.752 410 L CB -0.823 41.238 42.059 0.004 0.000 0.891 410 L HN 0.281 nan 8.230 nan 0.000 0.432 411 Q N -0.873 118.922 119.800 -0.010 0.000 2.096 411 Q HA -0.268 4.081 4.340 0.015 0.000 0.208 411 Q C 2.243 178.234 176.000 -0.015 0.000 0.993 411 Q CA 2.348 58.147 55.803 -0.007 0.000 0.862 411 Q CB -0.036 28.701 28.738 -0.002 0.000 0.915 411 Q HN 0.561 nan 8.270 nan 0.000 0.416 412 R N -0.318 120.167 120.500 -0.026 0.000 2.066 412 R HA -0.131 4.218 4.340 0.015 0.000 0.232 412 R C 2.344 178.603 176.300 -0.067 0.000 1.131 412 R CA 0.826 56.903 56.100 -0.039 0.000 0.955 412 R CB -0.747 29.525 30.300 -0.046 0.000 0.851 412 R HN 0.227 nan 8.270 nan 0.000 0.432 413 L N 1.206 122.373 121.223 -0.093 0.000 1.963 413 L HA -0.224 4.125 4.340 0.015 0.000 0.220 413 L C 2.626 179.419 176.870 -0.129 0.000 1.076 413 L CA 2.227 56.974 54.840 -0.155 0.000 0.772 413 L CB -1.552 40.425 42.059 -0.137 0.000 0.892 413 L HN 0.255 nan 8.230 nan 0.000 0.435 414 T N -1.286 113.228 114.554 -0.067 0.000 2.833 414 T HA -0.112 4.247 4.350 0.015 0.000 0.269 414 T C 1.757 176.464 174.700 0.011 0.000 1.054 414 T CA 1.255 63.339 62.100 -0.026 0.000 1.135 414 T CB -0.065 68.798 68.868 -0.008 0.000 0.869 414 T HN 0.404 nan 8.240 nan 0.000 0.466 415 A N 0.424 123.252 122.820 0.015 0.000 1.968 415 A HA 0.421 4.750 4.320 0.015 0.000 0.217 415 A C 2.615 180.259 177.584 0.100 0.000 1.169 415 A CA 1.537 53.605 52.037 0.051 0.000 0.638 415 A CB -0.921 18.101 19.000 0.036 0.000 0.812 415 A HN 0.602 nan 8.150 nan 0.000 0.446 416 A N -0.365 122.499 122.820 0.073 0.000 1.929 416 A HA 0.068 4.397 4.320 0.015 0.000 0.216 416 A C 2.168 179.982 177.584 0.383 0.000 1.176 416 A CA 1.591 53.746 52.037 0.197 0.000 0.628 416 A CB -0.792 18.232 19.000 0.039 0.000 0.816 416 A HN 0.346 nan 8.150 nan 0.000 0.444 417 V N 1.060 121.078 119.914 0.175 0.000 2.295 417 V HA -0.275 3.854 4.120 0.015 0.000 0.246 417 V C 2.351 178.580 176.094 0.224 0.000 1.049 417 V CA 2.081 64.504 62.300 0.205 0.000 1.024 417 V CB -0.996 30.861 31.823 0.057 0.000 0.648 417 V HN 0.556 nan 8.190 nan 0.000 0.447 418 N N 0.108 118.905 118.700 0.162 0.000 2.043 418 N HA -0.194 4.555 4.740 0.015 0.000 0.193 418 N C 2.081 177.693 175.510 0.170 0.000 1.037 418 N CA 1.669 54.804 53.050 0.141 0.000 0.851 418 N CB -0.334 38.213 38.487 0.101 0.000 1.027 418 N HN 0.397 nan 8.380 nan 0.000 0.422 419 R N 0.823 121.448 120.500 0.208 0.000 2.112 419 R HA -0.133 4.216 4.340 0.015 0.000 0.242 419 R C 2.039 178.458 176.300 0.198 0.000 1.137 419 R CA 1.736 57.972 56.100 0.227 0.000 0.944 419 R CB -0.307 30.209 30.300 0.360 0.000 0.857 419 R HN 0.204 nan 8.270 nan 0.000 0.435 420 A N 0.180 123.148 122.820 0.247 0.000 2.070 420 A HA -0.085 4.245 4.320 0.015 0.000 0.220 420 A C 1.719 179.519 177.584 0.361 0.000 1.159 420 A CA 1.436 53.560 52.037 0.145 0.000 0.656 420 A CB -0.124 18.944 19.000 0.113 0.000 0.800 420 A HN 0.336 nan 8.150 nan 0.000 0.453 421 V N -3.325 116.781 119.914 0.320 0.000 3.099 421 V HA 0.252 4.381 4.120 0.015 0.000 0.356 421 V C 0.974 177.128 176.094 0.100 0.000 1.364 421 V CA 0.236 62.721 62.300 0.308 0.000 1.229 421 V CB -0.464 31.496 31.823 0.230 0.000 1.227 421 V HN 0.474 nan 8.190 nan 0.000 0.493 422 Q N 0.214 120.075 119.800 0.102 0.000 2.103 422 Q HA 0.160 4.509 4.340 0.015 0.000 0.193 422 Q C 0.771 176.757 176.000 -0.024 0.000 0.986 422 Q CA 0.980 56.799 55.803 0.027 0.000 0.834 422 Q CB 0.006 28.767 28.738 0.038 0.000 0.915 422 Q HN 0.674 nan 8.270 nan 0.000 0.483 423 D N 0.820 121.208 120.400 -0.019 0.000 2.312 423 D HA -0.084 4.565 4.640 0.015 0.000 0.244 423 D C 0.533 176.791 176.300 -0.071 0.000 1.328 423 D CA 0.608 54.568 54.000 -0.066 0.000 0.965 423 D CB 0.401 41.133 40.800 -0.113 0.000 1.140 423 D HN 0.374 nan 8.370 nan 0.000 0.523 424 E N -1.377 118.768 120.200 -0.091 0.000 2.501 424 E HA 0.058 4.417 4.350 0.015 0.000 0.201 424 E C 0.986 177.627 176.600 0.069 0.000 1.016 424 E CA -0.020 56.338 56.400 -0.069 0.000 0.920 424 E CB 0.163 29.780 29.700 -0.139 0.000 1.023 424 E HN 0.129 nan 8.360 nan 0.000 0.474 425 T N 0.887 115.382 114.554 -0.098 0.000 2.684 425 T HA -0.123 4.236 4.350 0.015 0.000 0.267 425 T C 0.718 175.195 174.700 -0.370 0.000 1.036 425 T CA 1.237 63.123 62.100 -0.357 0.000 1.148 425 T CB -0.310 68.101 68.868 -0.763 0.000 0.863 425 T HN 0.284 nan 8.240 nan 0.000 0.436 426 F N 0.457 120.353 119.950 -0.090 0.000 2.663 426 F HA 0.390 4.927 4.527 0.015 0.000 0.299 426 F C -0.186 175.199 175.800 -0.691 0.000 1.143 426 F CA -0.779 56.948 58.000 -0.455 0.000 1.387 426 F CB -0.245 38.333 39.000 -0.704 0.000 1.019 426 F HN 0.030 nan 8.300 nan 0.000 0.523 427 F N -1.004 118.942 119.950 -0.007 0.000 2.593 427 F HA 0.515 5.051 4.527 0.014 0.000 0.320 427 F C -0.175 175.594 175.800 -0.051 0.000 1.060 427 F CA -1.938 56.056 58.000 -0.010 0.000 0.940 427 F CB 1.136 40.127 39.000 -0.014 0.000 1.268 427 F HN -0.267 nan 8.300 nan 0.000 0.475 428 C N 1.559 120.943 119.300 0.140 0.000 2.362 428 C HA 0.519 4.988 4.460 0.015 0.000 0.309 428 C C -0.073 174.947 174.990 0.051 0.000 1.110 428 C CA -1.238 57.812 59.018 0.053 0.000 1.485 428 C CB -0.741 27.018 27.740 0.031 0.000 1.949 428 C HN 0.799 nan 8.230 nan 0.000 0.419 429 Q N 0.000 119.772 119.800 -0.046 0.000 2.315 429 Q HA 0.000 4.349 4.340 0.015 0.000 0.214 429 Q CA 0.000 55.764 55.803 -0.065 0.000 1.022 429 Q CB 0.000 28.612 28.738 -0.210 0.000 1.108 429 Q HN 0.000 nan 8.270 nan 0.000 0.481