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 3dhy_1_D DATA FIRST_RESID 11 DATA SEQUENCE LTPDVRNGID FKIADLSLAD FGRKELRIAE HEMPGLMSLR REYAEVQPLK DATA SEQUENCE GARISGSLHM TVQTAVLIET LTALGAEVRW ASCNIFSTQD HAAAAVVVGP DATA SEQUENCE HGTPDEPKGV PVFAWKGETL EEYWWAAEQM LTWPDPDKPA NMILDDGGDA DATA SEQUENCE TMLVLRGMQY EKAGVVPPAE EDDPAEWKVF LNLLRTRFET DKDKWTKIAE DATA SEQUENCE SVKGVTEETT TGVLRLYQFA AAGDLAFPAI NVNDSVTKSK FDNKYGTRHS DATA SEQUENCE LIDGINRGTD ALIGGKKVLI CGYGDVGKGC AEAMKGQGAR VSVTEIDPIN DATA SEQUENCE ALQAMMEGFD VVTVEEAIGD ADIVVTATGN KDIIMLEHIK AMKDHAILGN DATA SEQUENCE IGHFDNEIDM AGLERSGATR VNVKPQVDLW TFGDTGRSII VLSEGRLLNL DATA SEQUENCE GNATGHPSFV MSNSFANQTI AQIELWTKND EYDNEVYRLP KHLDEKVARI DATA SEQUENCE HVEALGGHLT KLTKEQAEYL GVDVEGPYKP DHYRY 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.708 176.870 -0.269 0.000 1.165 11 L CA 0.000 54.549 54.840 -0.485 0.000 0.813 11 L CB 0.000 41.432 42.059 -1.045 0.000 0.961 12 T N 1.177 115.678 114.554 -0.089 0.000 2.876 12 T HA 0.787 5.137 4.350 -0.001 0.000 0.289 12 T C -2.839 171.989 174.700 0.214 0.000 1.014 12 T CA -1.969 60.224 62.100 0.155 0.000 0.986 12 T CB 2.016 70.921 68.868 0.061 0.000 1.021 12 T HN 0.194 nan 8.240 nan 0.000 0.458 13 P HA 0.394 nan 4.420 nan 0.000 0.274 13 P C -0.686 176.579 177.300 -0.059 0.000 1.231 13 P CA -0.365 62.897 63.100 0.271 0.000 0.790 13 P CB 0.443 32.363 31.700 0.366 0.000 0.951 14 D N 0.420 120.592 120.400 -0.380 0.000 2.253 14 D HA 0.389 5.029 4.640 -0.001 0.000 0.249 14 D C -0.569 175.312 176.300 -0.699 0.000 1.049 14 D CA 0.020 53.631 54.000 -0.648 0.000 0.929 14 D CB 1.031 41.167 40.800 -1.107 0.000 1.176 14 D HN -0.049 nan 8.370 nan 0.000 0.437 15 V N 2.303 122.019 119.914 -0.330 0.000 2.567 15 V HA 0.408 4.527 4.120 -0.001 0.000 0.298 15 V C -0.306 175.837 176.094 0.083 0.000 1.047 15 V CA -0.764 61.498 62.300 -0.064 0.000 0.880 15 V CB 1.698 33.509 31.823 -0.021 0.000 1.009 15 V HN 0.389 nan 8.190 nan 0.000 0.429 16 R N 2.867 123.515 120.500 0.246 0.000 2.686 16 R HA 0.459 4.798 4.340 -0.001 0.000 0.283 16 R C 0.086 176.461 176.300 0.125 0.000 0.978 16 R CA -1.142 55.068 56.100 0.183 0.000 0.897 16 R CB 1.554 31.986 30.300 0.220 0.000 1.192 16 R HN 0.750 nan 8.270 nan 0.000 0.457 17 N N 1.072 119.817 118.700 0.074 0.000 2.702 17 N HA -0.260 4.480 4.740 -0.001 0.000 0.261 17 N C 0.639 176.179 175.510 0.050 0.000 0.965 17 N CA 1.523 54.602 53.050 0.049 0.000 0.795 17 N CB -0.827 37.679 38.487 0.033 0.000 0.909 17 N HN 1.037 nan 8.380 nan 0.000 0.546 18 G N -1.078 107.756 108.800 0.056 0.000 2.162 18 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.260 18 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.260 18 G C 0.135 175.073 174.900 0.063 0.000 0.976 18 G CA 0.414 45.545 45.100 0.052 0.000 0.655 18 G HN 0.560 nan 8.290 nan 0.000 0.533 19 I N 2.370 122.996 120.570 0.094 0.000 2.355 19 I HA 0.304 4.473 4.170 -0.001 0.000 0.288 19 I C -0.414 175.826 176.117 0.205 0.000 0.999 19 I CA -1.083 60.288 61.300 0.119 0.000 1.163 19 I CB 1.348 39.405 38.000 0.094 0.000 1.316 19 I HN 0.188 nan 8.210 nan 0.000 0.454 20 D N 7.395 127.872 120.400 0.128 0.000 2.304 20 D HA 0.437 5.077 4.640 -0.001 0.000 0.250 20 D C -0.577 175.734 176.300 0.019 0.000 1.107 20 D CA -0.067 53.985 54.000 0.087 0.000 0.885 20 D CB 1.155 42.043 40.800 0.147 0.000 1.192 20 D HN 0.327 nan 8.370 nan 0.000 0.436 21 F N -1.520 118.274 119.950 -0.261 0.000 2.711 21 F HA 0.727 5.254 4.527 -0.001 0.000 0.313 21 F C -1.281 174.319 175.800 -0.333 0.000 1.141 21 F CA -1.426 56.182 58.000 -0.653 0.000 0.941 21 F CB 1.708 40.484 39.000 -0.373 0.000 1.349 21 F HN 0.215 nan 8.300 nan 0.000 0.464 22 K N 2.385 122.715 120.400 -0.117 0.000 2.731 22 K HA 0.618 4.938 4.320 -0.001 0.000 0.257 22 K C -1.601 175.224 176.600 0.376 0.000 1.032 22 K CA -0.281 56.144 56.287 0.230 0.000 0.983 22 K CB 1.089 33.934 32.500 0.574 0.000 1.248 22 K HN 0.845 nan 8.250 nan 0.000 0.484 23 I N -0.674 120.070 120.570 0.290 0.000 3.516 23 I HA 0.773 4.942 4.170 -0.001 0.000 0.297 23 I C 0.569 176.745 176.117 0.100 0.000 1.139 23 I CA -0.947 60.525 61.300 0.286 0.000 1.020 23 I CB 1.826 39.945 38.000 0.198 0.000 1.341 23 I HN 0.373 nan 8.210 nan 0.000 0.490 24 A N 0.024 122.930 122.820 0.144 0.000 1.878 24 A HA 0.120 4.440 4.320 -0.001 0.000 0.213 24 A C 0.410 178.018 177.584 0.039 0.000 1.192 24 A CA 1.668 53.741 52.037 0.060 0.000 0.619 24 A CB -0.337 18.759 19.000 0.160 0.000 0.837 24 A HN 0.849 nan 8.150 nan 0.000 0.446 25 D N -2.008 118.434 120.400 0.070 0.000 2.688 25 D HA 0.298 4.938 4.640 -0.001 0.000 0.210 25 D C 0.319 176.644 176.300 0.041 0.000 1.333 25 D CA -0.456 53.578 54.000 0.055 0.000 0.920 25 D CB 0.466 41.302 40.800 0.060 0.000 1.554 25 D HN 0.005 nan 8.370 nan 0.000 0.579 26 L N 2.109 123.347 121.223 0.025 0.000 2.083 26 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 26 L C 2.312 179.176 176.870 -0.010 0.000 1.083 26 L CA 1.586 56.406 54.840 -0.033 0.000 0.752 26 L CB -0.288 41.740 42.059 -0.052 0.000 0.899 26 L HN 0.531 nan 8.230 nan 0.000 0.433 27 S N -0.161 115.549 115.700 0.018 0.000 2.462 27 S HA -0.198 4.272 4.470 -0.001 0.000 0.243 27 S C 1.713 176.347 174.600 0.057 0.000 1.003 27 S CA 0.982 59.200 58.200 0.030 0.000 0.970 27 S CB -0.728 62.492 63.200 0.033 0.000 0.762 27 S HN 0.441 nan 8.310 nan 0.000 0.510 28 L N 0.742 122.012 121.223 0.077 0.000 2.622 28 L HA 0.132 4.472 4.340 -0.001 0.000 0.233 28 L C 2.791 179.735 176.870 0.123 0.000 1.156 28 L CA 0.436 55.363 54.840 0.145 0.000 0.866 28 L CB -0.789 41.375 42.059 0.175 0.000 0.980 28 L HN 0.442 nan 8.230 nan 0.000 0.448 29 A N 0.369 123.216 122.820 0.045 0.000 1.883 29 A HA -0.254 4.066 4.320 -0.001 0.000 0.217 29 A C 1.891 179.491 177.584 0.026 0.000 1.186 29 A CA 2.027 54.062 52.037 -0.003 0.000 0.624 29 A CB -0.426 18.546 19.000 -0.047 0.000 0.822 29 A HN 0.304 nan 8.150 nan 0.000 0.444 30 D N -1.130 119.306 120.400 0.060 0.000 2.106 30 D HA -0.177 4.463 4.640 -0.001 0.000 0.191 30 D C 1.601 178.003 176.300 0.170 0.000 0.997 30 D CA 1.575 55.626 54.000 0.085 0.000 0.834 30 D CB -0.401 40.448 40.800 0.081 0.000 0.956 30 D HN 0.374 nan 8.370 nan 0.000 0.448 31 F N 1.293 121.268 119.950 0.042 0.000 2.065 31 F HA -0.110 4.417 4.527 -0.001 0.000 0.298 31 F C 2.274 178.165 175.800 0.152 0.000 1.112 31 F CA 2.011 60.057 58.000 0.077 0.000 1.212 31 F CB -0.964 38.069 39.000 0.055 0.000 0.975 31 F HN -0.005 nan 8.300 nan 0.000 0.476 32 G N -0.137 108.653 108.800 -0.017 0.000 2.469 32 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.219 32 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.219 32 G C 1.795 176.618 174.900 -0.128 0.000 1.150 32 G CA 1.062 46.044 45.100 -0.196 0.000 0.763 32 G HN 0.348 nan 8.290 nan 0.000 0.561 33 R N 0.891 121.362 120.500 -0.050 0.000 2.092 33 R HA 0.060 4.400 4.340 -0.001 0.000 0.231 33 R C 2.460 178.758 176.300 -0.003 0.000 1.119 33 R CA 1.546 57.620 56.100 -0.044 0.000 0.970 33 R CB -0.482 29.795 30.300 -0.038 0.000 0.864 33 R HN 0.369 nan 8.270 nan 0.000 0.440 34 K N 0.252 120.684 120.400 0.054 0.000 2.032 34 K HA -0.154 4.166 4.320 -0.001 0.000 0.209 34 K C 1.957 178.607 176.600 0.083 0.000 1.048 34 K CA 1.948 58.290 56.287 0.091 0.000 0.927 34 K CB -0.136 32.464 32.500 0.166 0.000 0.712 34 K HN 0.338 nan 8.250 nan 0.000 0.441 35 E N 0.391 120.629 120.200 0.063 0.000 2.274 35 E HA -0.128 4.221 4.350 -0.001 0.000 0.194 35 E C 1.855 178.454 176.600 -0.002 0.000 0.996 35 E CA 0.538 56.962 56.400 0.039 0.000 0.840 35 E CB 0.086 29.794 29.700 0.014 0.000 0.772 35 E HN 0.125 nan 8.360 nan 0.000 0.491 36 L N 0.627 121.826 121.223 -0.040 0.000 2.095 36 L HA -0.103 4.237 4.340 -0.001 0.000 0.204 36 L C 2.299 179.170 176.870 0.000 0.000 1.080 36 L CA 1.350 56.161 54.840 -0.049 0.000 0.759 36 L CB -0.235 41.767 42.059 -0.094 0.000 0.914 36 L HN -0.037 nan 8.230 nan 0.000 0.439 37 R N -0.384 120.131 120.500 0.025 0.000 2.073 37 R HA -0.141 4.199 4.340 -0.001 0.000 0.234 37 R C 2.293 178.710 176.300 0.195 0.000 1.134 37 R CA 1.609 57.761 56.100 0.087 0.000 0.952 37 R CB -0.704 29.647 30.300 0.085 0.000 0.850 37 R HN 0.293 nan 8.270 nan 0.000 0.433 38 I N 0.882 121.534 120.570 0.137 0.000 2.264 38 I HA -0.285 3.885 4.170 -0.001 0.000 0.248 38 I C 2.576 178.792 176.117 0.166 0.000 1.111 38 I CA 1.417 62.801 61.300 0.139 0.000 1.382 38 I CB -0.309 37.738 38.000 0.078 0.000 1.060 38 I HN 0.205 nan 8.210 nan 0.000 0.418 39 A N 0.035 122.921 122.820 0.109 0.000 1.968 39 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 39 A C 2.181 179.816 177.584 0.084 0.000 1.169 39 A CA 1.258 53.347 52.037 0.086 0.000 0.638 39 A CB -0.436 18.589 19.000 0.042 0.000 0.812 39 A HN 0.438 nan 8.150 nan 0.000 0.446 40 E N -0.796 119.439 120.200 0.058 0.000 2.072 40 E HA -0.201 4.148 4.350 -0.001 0.000 0.191 40 E C 1.757 178.331 176.600 -0.043 0.000 0.985 40 E CA 1.367 57.755 56.400 -0.020 0.000 0.801 40 E CB -0.314 29.332 29.700 -0.089 0.000 0.750 40 E HN 0.814 nan 8.360 nan 0.000 0.452 41 H N 0.525 119.617 119.070 0.036 0.000 2.422 41 H HA -0.059 4.497 4.556 -0.000 0.000 0.298 41 H C 1.629 177.011 175.328 0.089 0.000 1.098 41 H CA 1.060 57.137 56.048 0.050 0.000 1.315 41 H CB 0.170 29.956 29.762 0.041 0.000 1.382 41 H HN -0.001 nan 8.280 nan 0.000 0.523 42 E N -0.058 120.269 120.200 0.211 0.000 2.502 42 E HA 0.053 4.403 4.350 -0.001 0.000 0.194 42 E C 0.002 176.746 176.600 0.240 0.000 1.062 42 E CA 0.352 56.905 56.400 0.255 0.000 0.867 42 E CB 0.247 30.075 29.700 0.213 0.000 0.888 42 E HN 0.537 nan 8.360 nan 0.000 0.510 43 M N 1.127 120.791 119.600 0.107 0.000 3.003 43 M HA 0.172 4.652 4.480 -0.001 0.000 0.221 43 M C -1.843 174.432 176.300 -0.043 0.000 1.126 43 M CA -1.480 53.834 55.300 0.023 0.000 0.778 43 M CB 1.508 34.131 32.600 0.037 0.000 1.380 43 M HN -0.227 nan 8.290 nan 0.000 0.508 44 P HA -0.123 nan 4.420 nan 0.000 0.218 44 P C 1.450 178.599 177.300 -0.252 0.000 1.148 44 P CA 1.573 64.560 63.100 -0.187 0.000 0.822 44 P CB 0.097 31.656 31.700 -0.236 0.000 0.784 45 G N 0.879 109.474 108.800 -0.342 0.000 2.459 45 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.217 45 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.217 45 G C 1.680 176.567 174.900 -0.022 0.000 1.183 45 G CA 0.737 45.743 45.100 -0.157 0.000 0.776 45 G HN 0.238 nan 8.290 nan 0.000 0.552 46 L N -0.023 121.209 121.223 0.015 0.000 2.093 46 L HA -0.032 4.308 4.340 -0.001 0.000 0.208 46 L C 2.990 179.860 176.870 -0.001 0.000 1.085 46 L CA 0.606 55.462 54.840 0.028 0.000 0.755 46 L CB -0.306 41.779 42.059 0.045 0.000 0.904 46 L HN 0.144 nan 8.230 nan 0.000 0.435 47 M N -1.113 118.468 119.600 -0.031 0.000 2.254 47 M HA -0.107 4.372 4.480 -0.001 0.000 0.265 47 M C 2.539 178.818 176.300 -0.035 0.000 1.066 47 M CA 1.177 56.452 55.300 -0.043 0.000 1.123 47 M CB -1.252 31.305 32.600 -0.070 0.000 1.388 47 M HN 0.136 nan 8.290 nan 0.000 0.425 48 S N 0.716 116.390 115.700 -0.043 0.000 2.368 48 S HA -0.032 4.438 4.470 -0.001 0.000 0.225 48 S C 1.967 176.571 174.600 0.007 0.000 1.030 48 S CA 0.960 59.140 58.200 -0.033 0.000 0.999 48 S CB -0.108 63.060 63.200 -0.054 0.000 0.844 48 S HN 0.444 nan 8.310 nan 0.000 0.459 49 L N 0.750 122.001 121.223 0.047 0.000 2.201 49 L HA -0.034 4.306 4.340 -0.001 0.000 0.212 49 L C 2.770 179.734 176.870 0.156 0.000 1.105 49 L CA 1.009 55.934 54.840 0.142 0.000 0.775 49 L CB -0.368 41.780 42.059 0.148 0.000 0.913 49 L HN 0.254 nan 8.230 nan 0.000 0.440 50 R N -0.388 120.156 120.500 0.074 0.000 2.073 50 R HA -0.076 4.264 4.340 -0.001 0.000 0.229 50 R C 2.414 178.740 176.300 0.043 0.000 1.120 50 R CA 0.875 57.010 56.100 0.058 0.000 0.967 50 R CB -0.233 30.077 30.300 0.017 0.000 0.862 50 R HN 0.329 nan 8.270 nan 0.000 0.436 51 R N 0.780 121.288 120.500 0.012 0.000 2.080 51 R HA -0.184 4.155 4.340 -0.001 0.000 0.236 51 R C 2.357 178.636 176.300 -0.035 0.000 1.137 51 R CA 1.787 57.880 56.100 -0.011 0.000 0.943 51 R CB -0.268 30.016 30.300 -0.026 0.000 0.846 51 R HN 0.346 nan 8.270 nan 0.000 0.431 52 E N -0.096 120.062 120.200 -0.069 0.000 2.051 52 E HA -0.205 4.144 4.350 -0.001 0.000 0.192 52 E C 0.847 177.260 176.600 -0.312 0.000 0.991 52 E CA 1.335 57.599 56.400 -0.227 0.000 0.799 52 E CB 0.032 29.531 29.700 -0.335 0.000 0.748 52 E HN 0.394 nan 8.360 nan 0.000 0.449 53 Y N -0.516 119.791 120.300 0.012 0.000 2.485 53 Y HA 0.385 4.935 4.550 -0.001 0.000 0.260 53 Y C 1.741 177.650 175.900 0.015 0.000 1.173 53 Y CA 0.122 58.233 58.100 0.018 0.000 1.252 53 Y CB 0.195 38.670 38.460 0.025 0.000 1.123 53 Y HN 0.170 nan 8.280 nan 0.000 0.524 54 A N 0.821 123.704 122.820 0.104 0.000 1.884 54 A HA -0.353 3.967 4.320 -0.001 0.000 0.219 54 A C 2.130 179.749 177.584 0.059 0.000 1.197 54 A CA 2.557 54.633 52.037 0.066 0.000 0.637 54 A CB -0.562 18.456 19.000 0.030 0.000 0.827 54 A HN 0.544 nan 8.150 nan 0.000 0.450 55 E N -0.730 119.498 120.200 0.046 0.000 2.158 55 E HA -0.048 4.301 4.350 -0.001 0.000 0.191 55 E C 1.645 178.283 176.600 0.063 0.000 0.982 55 E CA 1.051 57.475 56.400 0.040 0.000 0.823 55 E CB -0.141 29.571 29.700 0.020 0.000 0.766 55 E HN 0.255 nan 8.360 nan 0.000 0.468 56 V N 1.108 121.079 119.914 0.096 0.000 2.515 56 V HA -0.201 3.918 4.120 -0.001 0.000 0.250 56 V C 0.581 176.752 176.094 0.128 0.000 1.058 56 V CA 1.251 63.629 62.300 0.130 0.000 1.064 56 V CB -0.633 31.323 31.823 0.222 0.000 0.675 56 V HN 0.416 nan 8.190 nan 0.000 0.461 57 Q N -1.154 118.720 119.800 0.124 0.000 2.437 57 Q HA -0.211 4.128 4.340 -0.001 0.000 0.354 57 Q C -1.370 174.693 176.000 0.104 0.000 1.402 57 Q CA 1.034 56.894 55.803 0.094 0.000 1.020 57 Q CB -1.402 27.376 28.738 0.068 0.000 1.220 57 Q HN 0.514 nan 8.270 nan 0.000 0.368 58 P HA -0.124 nan 4.420 nan 0.000 0.222 58 P C 1.100 178.511 177.300 0.185 0.000 1.147 58 P CA 0.966 64.132 63.100 0.111 0.000 0.790 58 P CB 0.191 31.870 31.700 -0.035 0.000 0.780 59 L N -1.519 119.739 121.223 0.058 0.000 2.667 59 L HA 0.219 4.559 4.340 -0.001 0.000 0.232 59 L C 0.980 177.748 176.870 -0.169 0.000 1.138 59 L CA -0.574 54.196 54.840 -0.117 0.000 0.921 59 L CB -0.322 41.614 42.059 -0.206 0.000 1.180 59 L HN -0.177 nan 8.230 nan 0.000 0.487 60 K N 1.339 121.756 120.400 0.028 0.000 2.477 60 K HA 0.099 4.419 4.320 -0.001 0.000 0.275 60 K C 1.124 177.784 176.600 0.100 0.000 1.054 60 K CA 1.353 57.669 56.287 0.047 0.000 1.135 60 K CB -0.001 32.559 32.500 0.100 0.000 0.854 60 K HN 0.283 nan 8.250 nan 0.000 0.484 61 G N 2.053 110.832 108.800 -0.035 0.000 2.232 61 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.226 61 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.226 61 G C 0.213 174.888 174.900 -0.375 0.000 0.996 61 G CA -0.079 45.040 45.100 0.033 0.000 0.626 61 G HN 0.982 nan 8.290 nan 0.000 0.509 62 A N 0.470 122.688 122.820 -1.004 0.000 2.498 62 A HA 0.652 4.972 4.320 -0.001 0.000 0.239 62 A C 0.680 177.861 177.584 -0.670 0.000 1.068 62 A CA 0.590 51.836 52.037 -1.318 0.000 0.766 62 A CB 0.153 18.413 19.000 -1.233 0.000 1.003 62 A HN 0.514 nan 8.150 nan 0.000 0.497 63 R N 2.238 122.337 120.500 -0.668 0.000 2.415 63 R HA 0.355 4.695 4.340 -0.001 0.000 0.292 63 R C -1.427 174.619 176.300 -0.423 0.000 1.295 63 R CA -0.118 55.531 56.100 -0.751 0.000 1.137 63 R CB 1.068 30.467 30.300 -1.502 0.000 1.135 63 R HN 0.708 nan 8.270 nan 0.000 0.560 64 I N 1.740 122.320 120.570 0.016 0.000 2.297 64 I HA 0.139 4.309 4.170 -0.001 0.000 0.291 64 I C 0.194 176.470 176.117 0.264 0.000 1.033 64 I CA -0.070 61.270 61.300 0.067 0.000 1.253 64 I CB 1.706 39.717 38.000 0.019 0.000 1.396 64 I HN 0.338 nan 8.210 nan 0.000 0.476 65 S N 4.609 120.410 115.700 0.168 0.000 2.430 65 S HA 0.521 4.990 4.470 -0.001 0.000 0.289 65 S C 0.318 174.738 174.600 -0.300 0.000 1.143 65 S CA -0.589 57.645 58.200 0.057 0.000 1.067 65 S CB 1.030 64.331 63.200 0.168 0.000 0.964 65 S HN 0.781 nan 8.310 nan 0.000 0.485 66 G N 1.316 109.682 108.800 -0.724 0.000 2.415 66 G HA2 0.539 4.499 3.960 -0.001 0.000 0.327 66 G HA3 0.539 4.499 3.960 -0.001 0.000 0.327 66 G C -0.914 173.132 174.900 -1.424 0.000 1.182 66 G CA -0.507 43.679 45.100 -1.523 0.000 0.924 66 G HN 0.555 nan 8.290 nan 0.000 0.470 67 S N 1.745 116.919 115.700 -0.878 0.000 2.718 67 S HA 0.704 5.174 4.470 -0.001 0.000 0.294 67 S C -0.897 173.501 174.600 -0.337 0.000 1.157 67 S CA -0.607 57.270 58.200 -0.538 0.000 1.121 67 S CB -0.096 62.917 63.200 -0.312 0.000 1.015 67 S HN 0.633 nan 8.310 nan 0.000 0.479 68 L N 4.801 125.904 121.223 -0.201 0.000 2.735 68 L HA 0.338 4.677 4.340 -0.001 0.000 0.258 68 L C -0.782 176.199 176.870 0.185 0.000 0.920 68 L CA -0.757 54.104 54.840 0.035 0.000 0.958 68 L CB 1.386 43.613 42.059 0.280 0.000 1.499 68 L HN 0.719 nan 8.230 nan 0.000 0.441 69 H N 4.205 123.385 119.070 0.182 0.000 3.209 69 H HA -0.124 4.432 4.556 -0.000 0.000 0.297 69 H C 0.219 175.642 175.328 0.158 0.000 0.936 69 H CA 0.449 56.582 56.048 0.142 0.000 1.392 69 H CB 0.507 30.328 29.762 0.100 0.000 1.349 69 H HN 0.420 nan 8.280 nan 0.000 0.568 70 M N 4.605 124.337 119.600 0.220 0.000 3.396 70 M HA 0.073 4.553 4.480 -0.001 0.000 0.255 70 M C -0.114 176.215 176.300 0.049 0.000 1.398 70 M CA -0.342 55.029 55.300 0.120 0.000 1.554 70 M CB -0.652 32.022 32.600 0.122 0.000 1.070 70 M HN 0.587 nan 8.290 nan 0.000 0.587 71 T N -1.485 113.098 114.554 0.048 0.000 2.923 71 T HA 0.473 4.823 4.350 -0.001 0.000 0.281 71 T C 1.117 175.771 174.700 -0.076 0.000 0.995 71 T CA -0.919 61.188 62.100 0.011 0.000 0.985 71 T CB 0.900 69.812 68.868 0.073 0.000 1.114 71 T HN 0.143 nan 8.240 nan 0.000 0.548 72 V N 1.277 121.125 119.914 -0.109 0.000 2.407 72 V HA -0.168 3.952 4.120 -0.001 0.000 0.248 72 V C 2.885 178.944 176.094 -0.058 0.000 1.055 72 V CA 1.829 64.041 62.300 -0.146 0.000 1.049 72 V CB -1.177 30.557 31.823 -0.149 0.000 0.662 72 V HN 0.780 nan 8.190 nan 0.000 0.455 73 Q N -0.042 119.779 119.800 0.035 0.000 2.061 73 Q HA -0.174 4.166 4.340 -0.001 0.000 0.204 73 Q C 2.374 178.481 176.000 0.177 0.000 0.984 73 Q CA 2.377 58.270 55.803 0.150 0.000 0.846 73 Q CB -1.037 27.826 28.738 0.209 0.000 0.902 73 Q HN 0.561 nan 8.270 nan 0.000 0.421 74 T N 0.490 115.102 114.554 0.098 0.000 2.788 74 T HA -0.158 4.191 4.350 -0.001 0.000 0.268 74 T C 1.783 176.228 174.700 -0.425 0.000 1.044 74 T CA 1.198 63.154 62.100 -0.240 0.000 1.139 74 T CB -0.415 68.367 68.868 -0.143 0.000 0.867 74 T HN 0.441 nan 8.240 nan 0.000 0.454 75 A N 1.022 123.655 122.820 -0.311 0.000 1.902 75 A HA -0.074 4.246 4.320 -0.001 0.000 0.217 75 A C 2.534 179.951 177.584 -0.278 0.000 1.181 75 A CA 1.544 53.380 52.037 -0.336 0.000 0.623 75 A CB -1.006 17.837 19.000 -0.263 0.000 0.818 75 A HN 0.383 nan 8.150 nan 0.000 0.443 76 V N -0.006 119.800 119.914 -0.180 0.000 2.380 76 V HA -0.265 3.855 4.120 -0.001 0.000 0.251 76 V C 2.479 178.478 176.094 -0.159 0.000 1.063 76 V CA 1.962 64.187 62.300 -0.124 0.000 1.055 76 V CB -1.031 30.769 31.823 -0.038 0.000 0.657 76 V HN 0.611 nan 8.190 nan 0.000 0.455 77 L N 0.101 121.172 121.223 -0.253 0.000 2.027 77 L HA -0.071 4.268 4.340 -0.001 0.000 0.206 77 L C 2.205 178.851 176.870 -0.373 0.000 1.074 77 L CA 1.781 56.414 54.840 -0.344 0.000 0.745 77 L CB -0.562 41.061 42.059 -0.727 0.000 0.898 77 L HN 0.195 nan 8.230 nan 0.000 0.433 78 I N -0.153 120.091 120.570 -0.544 0.000 2.208 78 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 78 I C 2.192 178.134 176.117 -0.292 0.000 1.097 78 I CA 1.650 62.613 61.300 -0.561 0.000 1.363 78 I CB -0.348 37.186 38.000 -0.777 0.000 1.051 78 I HN 0.399 nan 8.210 nan 0.000 0.413 79 E N -0.192 119.862 120.200 -0.244 0.000 2.427 79 E HA -0.090 4.259 4.350 -0.001 0.000 0.196 79 E C 1.898 178.435 176.600 -0.106 0.000 1.028 79 E CA 0.943 57.252 56.400 -0.151 0.000 0.864 79 E CB -0.011 29.606 29.700 -0.139 0.000 0.813 79 E HN 0.502 nan 8.360 nan 0.000 0.514 80 T N 1.663 116.147 114.554 -0.116 0.000 2.732 80 T HA -0.062 4.287 4.350 -0.001 0.000 0.261 80 T C 2.031 176.693 174.700 -0.063 0.000 1.040 80 T CA 0.672 62.730 62.100 -0.070 0.000 1.145 80 T CB -0.173 68.662 68.868 -0.056 0.000 0.866 80 T HN 0.086 nan 8.240 nan 0.000 0.427 81 L N 1.562 122.732 121.223 -0.088 0.000 2.042 81 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 81 L C 3.090 179.925 176.870 -0.058 0.000 1.076 81 L CA 1.778 56.576 54.840 -0.069 0.000 0.749 81 L CB -1.599 40.429 42.059 -0.052 0.000 0.893 81 L HN 0.452 nan 8.230 nan 0.000 0.432 82 T N -2.322 112.197 114.554 -0.059 0.000 2.867 82 T HA -0.094 4.256 4.350 -0.001 0.000 0.268 82 T C 1.929 176.615 174.700 -0.023 0.000 1.057 82 T CA 0.897 62.975 62.100 -0.038 0.000 1.136 82 T CB -0.378 68.467 68.868 -0.039 0.000 0.874 82 T HN 0.322 nan 8.240 nan 0.000 0.466 83 A N 1.199 124.005 122.820 -0.022 0.000 2.067 83 A HA 0.295 4.614 4.320 -0.001 0.000 0.219 83 A C 2.277 179.869 177.584 0.013 0.000 1.158 83 A CA 0.821 52.858 52.037 -0.001 0.000 0.661 83 A CB -0.636 18.364 19.000 -0.000 0.000 0.801 83 A HN 0.586 nan 8.150 nan 0.000 0.452 84 L N -2.140 119.083 121.223 0.001 0.000 2.607 84 L HA 0.248 4.588 4.340 -0.001 0.000 0.228 84 L C 1.593 178.460 176.870 -0.006 0.000 1.123 84 L CA 0.722 55.569 54.840 0.011 0.000 0.890 84 L CB 0.093 42.142 42.059 -0.016 0.000 1.103 84 L HN 0.574 nan 8.230 nan 0.000 0.468 85 G N -0.187 108.601 108.800 -0.021 0.000 2.229 85 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.189 85 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.189 85 G C 0.387 175.248 174.900 -0.065 0.000 1.000 85 G CA -0.124 44.961 45.100 -0.026 0.000 0.663 85 G HN 0.379 nan 8.290 nan 0.000 0.493 86 A N 0.091 122.853 122.820 -0.096 0.000 2.366 86 A HA 0.696 5.016 4.320 -0.001 0.000 0.249 86 A C 0.222 177.783 177.584 -0.038 0.000 1.084 86 A CA 0.287 52.243 52.037 -0.135 0.000 0.794 86 A CB 0.433 19.346 19.000 -0.145 0.000 1.034 86 A HN 0.403 nan 8.150 nan 0.000 0.491 87 E N -0.738 119.463 120.200 0.002 0.000 2.204 87 E HA 0.488 4.837 4.350 -0.001 0.000 0.276 87 E C -0.675 176.130 176.600 0.341 0.000 0.974 87 E CA -0.524 55.982 56.400 0.177 0.000 0.815 87 E CB 1.923 31.792 29.700 0.281 0.000 1.119 87 E HN 0.664 nan 8.360 nan 0.000 0.393 88 V N 0.865 120.962 119.914 0.304 0.000 2.962 88 V HA 0.701 4.821 4.120 -0.001 0.000 0.313 88 V C -1.133 175.029 176.094 0.113 0.000 1.099 88 V CA -0.827 61.671 62.300 0.330 0.000 0.971 88 V CB 1.984 33.992 31.823 0.309 0.000 1.028 88 V HN 0.620 nan 8.190 nan 0.000 0.430 89 R N 3.684 124.207 120.500 0.038 0.000 2.686 89 R HA 0.584 4.924 4.340 -0.001 0.000 0.286 89 R C -1.421 174.979 176.300 0.167 0.000 0.969 89 R CA -0.416 55.651 56.100 -0.055 0.000 0.898 89 R CB 2.279 32.319 30.300 -0.433 0.000 1.183 89 R HN 0.863 nan 8.270 nan 0.000 0.456 90 W N 0.910 122.199 121.300 -0.017 0.000 2.882 90 W HA 0.753 5.412 4.660 -0.001 0.000 0.345 90 W C -1.238 175.305 176.519 0.040 0.000 1.125 90 W CA -0.515 56.822 57.345 -0.014 0.000 1.167 90 W CB 2.362 31.788 29.460 -0.056 0.000 1.431 90 W HN 0.631 nan 8.180 nan 0.000 0.543 91 A N 1.816 124.612 122.820 -0.041 0.000 2.594 91 A HA 0.496 4.816 4.320 -0.001 0.000 0.295 91 A C -0.914 176.627 177.584 -0.072 0.000 1.071 91 A CA -0.422 51.597 52.037 -0.030 0.000 0.685 91 A CB 1.714 20.604 19.000 -0.184 0.000 1.285 91 A HN 0.383 nan 8.150 nan 0.000 0.405 92 S N -1.085 114.581 115.700 -0.056 0.000 2.617 92 S HA 0.330 4.800 4.470 -0.001 0.000 0.259 92 S C 1.077 175.573 174.600 -0.174 0.000 1.301 92 S CA 0.226 58.396 58.200 -0.051 0.000 0.984 92 S CB 0.338 63.542 63.200 0.007 0.000 0.954 92 S HN 1.815 nan 8.310 nan 0.000 0.572 93 C N 0.834 120.022 119.300 -0.187 0.000 3.491 93 C HA 0.567 5.027 4.460 -0.001 0.000 0.298 93 C C 0.168 175.159 174.990 0.001 0.000 1.424 93 C CA -0.846 58.105 59.018 -0.112 0.000 1.772 93 C CB -1.968 25.613 27.740 -0.265 0.000 2.447 93 C HN 0.711 nan 8.230 nan 0.000 0.670 94 N N 0.632 119.345 118.700 0.021 0.000 2.229 94 N HA 0.614 5.354 4.740 -0.001 0.000 0.298 94 N C 0.710 176.213 175.510 -0.012 0.000 1.114 94 N CA -0.778 52.283 53.050 0.017 0.000 0.776 94 N CB 1.325 39.933 38.487 0.202 0.000 1.501 94 N HN 0.311 nan 8.380 nan 0.000 0.474 95 I N -1.239 119.175 120.570 -0.261 0.000 3.111 95 I HA 0.170 4.339 4.170 -0.001 0.000 0.272 95 I C 0.022 175.961 176.117 -0.295 0.000 1.268 95 I CA 0.901 61.986 61.300 -0.359 0.000 1.467 95 I CB -0.168 37.450 38.000 -0.637 0.000 1.087 95 I HN 0.291 nan 8.210 nan 0.000 0.467 96 F N 1.123 121.102 119.950 0.048 0.000 2.706 96 F HA 0.202 4.729 4.527 -0.000 0.000 0.308 96 F C 2.423 178.273 175.800 0.083 0.000 1.095 96 F CA -0.123 57.914 58.000 0.061 0.000 1.244 96 F CB -0.347 38.685 39.000 0.054 0.000 1.063 96 F HN 0.098 nan 8.300 nan 0.000 0.582 97 S N -1.744 114.115 115.700 0.265 0.000 2.527 97 S HA 0.022 4.492 4.470 -0.001 0.000 0.222 97 S C 0.920 175.639 174.600 0.197 0.000 0.985 97 S CA 0.075 58.418 58.200 0.238 0.000 0.921 97 S CB -0.964 62.482 63.200 0.410 0.000 0.772 97 S HN 0.098 nan 8.310 nan 0.000 0.529 98 T N 3.249 117.911 114.554 0.180 0.000 2.901 98 T HA 0.193 4.543 4.350 -0.001 0.000 0.301 98 T C -0.248 174.546 174.700 0.156 0.000 1.012 98 T CA 0.036 62.228 62.100 0.154 0.000 1.135 98 T CB 0.693 69.648 68.868 0.145 0.000 0.936 98 T HN 0.370 nan 8.240 nan 0.000 0.539 99 Q N 2.182 122.051 119.800 0.116 0.000 2.466 99 Q HA 0.163 4.503 4.340 -0.001 0.000 0.242 99 Q C 0.176 176.242 176.000 0.109 0.000 1.046 99 Q CA -0.618 55.267 55.803 0.137 0.000 0.841 99 Q CB 1.051 29.825 28.738 0.061 0.000 1.193 99 Q HN 0.537 nan 8.270 nan 0.000 0.508 100 D N 1.160 121.683 120.400 0.204 0.000 2.190 100 D HA -0.214 4.426 4.640 -0.001 0.000 0.200 100 D C 1.732 178.107 176.300 0.125 0.000 0.992 100 D CA 1.398 55.505 54.000 0.179 0.000 0.854 100 D CB 0.214 41.141 40.800 0.210 0.000 0.936 100 D HN 0.653 nan 8.370 nan 0.000 0.462 101 H N -0.264 118.785 119.070 -0.035 0.000 2.462 101 H HA 0.215 4.771 4.556 -0.000 0.000 0.292 101 H C 1.829 177.057 175.328 -0.166 0.000 1.049 101 H CA 1.225 57.198 56.048 -0.125 0.000 1.334 101 H CB -0.562 29.007 29.762 -0.321 0.000 1.404 101 H HN 0.055 nan 8.280 nan 0.000 0.544 102 A N 1.944 124.370 122.820 -0.657 0.000 1.873 102 A HA 0.050 4.370 4.320 -0.001 0.000 0.215 102 A C 2.808 180.242 177.584 -0.249 0.000 1.186 102 A CA 2.008 53.759 52.037 -0.476 0.000 0.616 102 A CB -1.126 17.625 19.000 -0.416 0.000 0.823 102 A HN 0.581 nan 8.150 nan 0.000 0.442 103 A N -0.166 122.567 122.820 -0.145 0.000 1.902 103 A HA 0.147 4.466 4.320 -0.001 0.000 0.217 103 A C 2.493 180.010 177.584 -0.113 0.000 1.181 103 A CA 2.173 54.161 52.037 -0.082 0.000 0.623 103 A CB -0.983 18.033 19.000 0.027 0.000 0.818 103 A HN 1.031 nan 8.150 nan 0.000 0.443 104 A N -0.119 122.643 122.820 -0.098 0.000 1.873 104 A HA 0.188 4.508 4.320 -0.001 0.000 0.215 104 A C 2.509 180.000 177.584 -0.155 0.000 1.186 104 A CA 2.005 53.973 52.037 -0.116 0.000 0.616 104 A CB -1.094 17.876 19.000 -0.050 0.000 0.823 104 A HN 1.123 nan 8.150 nan 0.000 0.442 105 A N -0.639 122.090 122.820 -0.152 0.000 2.024 105 A HA -0.005 4.315 4.320 -0.001 0.000 0.220 105 A C 2.127 179.606 177.584 -0.175 0.000 1.164 105 A CA 1.869 53.812 52.037 -0.157 0.000 0.643 105 A CB -0.701 18.196 19.000 -0.171 0.000 0.806 105 A HN 0.416 nan 8.150 nan 0.000 0.451 106 V N -0.990 118.807 119.914 -0.194 0.000 2.649 106 V HA -0.125 3.994 4.120 -0.001 0.000 0.248 106 V C 2.442 178.416 176.094 -0.199 0.000 1.054 106 V CA 1.481 63.659 62.300 -0.203 0.000 1.073 106 V CB -0.246 31.440 31.823 -0.228 0.000 0.699 106 V HN 0.352 nan 8.190 nan 0.000 0.463 107 V N -0.291 119.481 119.914 -0.236 0.000 2.453 107 V HA -0.146 3.974 4.120 -0.001 0.000 0.247 107 V C 2.318 178.256 176.094 -0.260 0.000 1.048 107 V CA 1.645 63.760 62.300 -0.307 0.000 1.049 107 V CB 0.057 31.551 31.823 -0.549 0.000 0.672 107 V HN 0.416 nan 8.190 nan 0.000 0.457 108 V N -0.564 119.216 119.914 -0.224 0.000 2.649 108 V HA 0.340 4.459 4.120 -0.001 0.000 0.248 108 V C 1.207 177.232 176.094 -0.115 0.000 1.054 108 V CA 1.026 63.227 62.300 -0.165 0.000 1.073 108 V CB -0.808 30.928 31.823 -0.145 0.000 0.699 108 V HN 0.748 nan 8.190 nan 0.000 0.463 109 G N 0.509 109.236 108.800 -0.122 0.000 2.781 109 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.683 109 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.683 109 G C -1.516 173.313 174.900 -0.118 0.000 1.390 109 G CA -0.194 44.847 45.100 -0.098 0.000 0.850 109 G HN 0.201 nan 8.290 nan 0.000 0.557 110 P HA -0.087 nan 4.420 nan 0.000 0.218 110 P C 0.834 177.857 177.300 -0.462 0.000 1.148 110 P CA 1.815 64.720 63.100 -0.325 0.000 0.822 110 P CB -0.036 31.418 31.700 -0.411 0.000 0.784 111 H N -1.951 117.098 119.070 -0.036 0.000 2.674 111 H HA 0.382 4.937 4.556 -0.001 0.000 0.274 111 H C 1.200 176.512 175.328 -0.028 0.000 1.121 111 H CA 0.003 56.036 56.048 -0.026 0.000 1.132 111 H CB 0.644 30.394 29.762 -0.020 0.000 1.606 111 H HN 0.098 nan 8.280 nan 0.000 0.558 112 G N 0.911 109.727 108.800 0.027 0.000 2.568 112 G HA2 0.454 4.414 3.960 -0.001 0.000 0.293 112 G HA3 0.454 4.414 3.960 -0.001 0.000 0.293 112 G C -0.070 174.817 174.900 -0.021 0.000 1.347 112 G CA -0.183 44.917 45.100 0.000 0.000 1.039 112 G HN 0.230 nan 8.290 nan 0.000 0.523 113 T N -3.695 110.841 114.554 -0.029 0.000 2.843 113 T HA 0.536 4.885 4.350 -0.001 0.000 0.302 113 T C -2.460 172.212 174.700 -0.047 0.000 1.232 113 T CA -1.235 60.846 62.100 -0.031 0.000 1.009 113 T CB 2.001 70.862 68.868 -0.012 0.000 1.254 113 T HN 0.135 nan 8.240 nan 0.000 0.504 114 P HA 0.016 nan 4.420 nan 0.000 0.219 114 P C 0.676 177.961 177.300 -0.026 0.000 1.146 114 P CA 0.940 64.006 63.100 -0.057 0.000 0.808 114 P CB 0.002 31.681 31.700 -0.036 0.000 0.779 115 D N -0.855 119.541 120.400 -0.006 0.000 2.149 115 D HA -0.085 4.554 4.640 -0.001 0.000 0.201 115 D C 0.878 177.187 176.300 0.014 0.000 0.972 115 D CA 1.126 55.133 54.000 0.012 0.000 0.835 115 D CB -0.110 40.697 40.800 0.012 0.000 0.966 115 D HN 0.223 nan 8.370 nan 0.000 0.476 116 E N 0.506 120.707 120.200 0.000 0.000 3.374 116 E HA 0.170 4.519 4.350 -0.001 0.000 0.223 116 E C -2.635 173.956 176.600 -0.014 0.000 1.210 116 E CA -1.933 54.469 56.400 0.004 0.000 0.987 116 E CB 1.331 31.037 29.700 0.009 0.000 1.322 116 E HN 0.011 nan 8.360 nan 0.000 0.404 117 P HA 0.060 nan 4.420 nan 0.000 0.271 117 P C -0.452 176.819 177.300 -0.047 0.000 1.218 117 P CA -0.106 62.947 63.100 -0.078 0.000 0.780 117 P CB 0.821 32.419 31.700 -0.171 0.000 0.901 118 K N 1.553 121.924 120.400 -0.048 0.000 3.012 118 K HA 0.322 4.642 4.320 -0.001 0.000 0.207 118 K C 0.682 177.263 176.600 -0.031 0.000 1.130 118 K CA -0.273 56.002 56.287 -0.020 0.000 1.021 118 K CB 1.213 33.721 32.500 0.013 0.000 0.736 118 K HN 0.571 nan 8.250 nan 0.000 0.448 119 G N 0.688 109.447 108.800 -0.068 0.000 3.414 119 G HA2 0.491 4.451 3.960 -0.001 0.000 0.189 119 G HA3 0.491 4.451 3.960 -0.001 0.000 0.189 119 G C -0.397 174.460 174.900 -0.071 0.000 1.329 119 G CA -0.078 44.974 45.100 -0.080 0.000 0.851 119 G HN 0.058 nan 8.290 nan 0.000 0.671 120 V N -2.273 117.584 119.914 -0.094 0.000 2.962 120 V HA 0.732 4.852 4.120 -0.001 0.000 0.313 120 V C -2.959 173.085 176.094 -0.084 0.000 1.099 120 V CA -2.519 59.741 62.300 -0.067 0.000 0.971 120 V CB 1.985 33.779 31.823 -0.047 0.000 1.028 120 V HN 0.376 nan 8.190 nan 0.000 0.430 121 P HA 0.205 nan 4.420 nan 0.000 0.260 121 P C -0.780 176.437 177.300 -0.138 0.000 1.172 121 P CA 0.509 63.542 63.100 -0.110 0.000 0.760 121 P CB 0.496 32.177 31.700 -0.031 0.000 0.773 122 V N 5.039 124.762 119.914 -0.319 0.000 2.709 122 V HA 0.448 4.568 4.120 -0.001 0.000 0.308 122 V C -0.487 175.328 176.094 -0.464 0.000 1.062 122 V CA -0.354 61.838 62.300 -0.181 0.000 0.901 122 V CB 1.807 33.597 31.823 -0.054 0.000 1.003 122 V HN 0.273 nan 8.190 nan 0.000 0.425 123 F N 3.025 123.070 119.950 0.158 0.000 2.564 123 F HA 0.811 5.337 4.527 -0.001 0.000 0.368 123 F C 0.301 176.213 175.800 0.187 0.000 1.127 123 F CA -0.328 57.802 58.000 0.216 0.000 1.170 123 F CB 1.591 40.603 39.000 0.021 0.000 1.397 123 F HN 0.600 nan 8.300 nan 0.000 0.493 124 A N 2.858 125.926 122.820 0.414 0.000 2.512 124 A HA 0.711 5.030 4.320 -0.001 0.000 0.294 124 A C -1.869 175.998 177.584 0.472 0.000 1.054 124 A CA -0.747 51.433 52.037 0.237 0.000 0.756 124 A CB 0.459 19.553 19.000 0.157 0.000 1.293 124 A HN 0.728 nan 8.150 nan 0.000 0.395 125 W N 1.454 122.842 121.300 0.146 0.000 3.118 125 W HA 0.724 5.383 4.660 -0.001 0.000 0.328 125 W C -0.681 175.933 176.519 0.158 0.000 1.239 125 W CA -0.940 56.489 57.345 0.139 0.000 1.176 125 W CB 1.227 30.767 29.460 0.133 0.000 1.433 125 W HN 0.669 nan 8.180 nan 0.000 0.562 126 K N 1.836 122.444 120.400 0.347 0.000 2.349 126 K HA 0.456 4.775 4.320 -0.001 0.000 0.289 126 K C 0.696 177.494 176.600 0.330 0.000 1.064 126 K CA 0.741 57.191 56.287 0.272 0.000 0.947 126 K CB 0.162 32.813 32.500 0.252 0.000 1.007 126 K HN 1.324 nan 8.250 nan 0.000 0.478 127 G N 3.330 112.322 108.800 0.320 0.000 2.215 127 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.198 127 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.198 127 G C -0.424 174.628 174.900 0.254 0.000 1.047 127 G CA -0.303 45.044 45.100 0.411 0.000 0.747 127 G HN 0.707 nan 8.290 nan 0.000 0.495 128 E N 0.668 120.840 120.200 -0.047 0.000 2.425 128 E HA 0.433 4.783 4.350 -0.001 0.000 0.258 128 E C 1.289 177.891 176.600 0.003 0.000 1.151 128 E CA 0.588 56.895 56.400 -0.154 0.000 0.958 128 E CB 0.509 29.889 29.700 -0.532 0.000 0.968 128 E HN 0.484 nan 8.360 nan 0.000 0.451 129 T N -1.563 113.042 114.554 0.086 0.000 2.912 129 T HA 0.255 4.605 4.350 -0.001 0.000 0.280 129 T C 1.297 176.039 174.700 0.070 0.000 0.989 129 T CA -0.800 61.350 62.100 0.083 0.000 0.995 129 T CB 0.516 69.462 68.868 0.129 0.000 1.077 129 T HN 0.387 nan 8.240 nan 0.000 0.531 130 L N -0.072 121.197 121.223 0.075 0.000 2.191 130 L HA -0.079 4.260 4.340 -0.001 0.000 0.212 130 L C 2.658 179.698 176.870 0.284 0.000 1.103 130 L CA 1.380 56.297 54.840 0.128 0.000 0.769 130 L CB -0.671 41.473 42.059 0.141 0.000 0.908 130 L HN 0.690 nan 8.230 nan 0.000 0.438 131 E N 0.193 120.535 120.200 0.237 0.000 2.051 131 E HA -0.142 4.207 4.350 -0.001 0.000 0.189 131 E C 2.092 178.875 176.600 0.305 0.000 0.979 131 E CA 0.808 57.368 56.400 0.268 0.000 0.803 131 E CB -0.045 29.760 29.700 0.175 0.000 0.761 131 E HN 0.413 nan 8.360 nan 0.000 0.451 132 E N -0.232 120.115 120.200 0.246 0.000 2.077 132 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 132 E C 1.813 178.549 176.600 0.226 0.000 0.989 132 E CA 0.973 57.544 56.400 0.285 0.000 0.800 132 E CB -0.257 29.629 29.700 0.310 0.000 0.746 132 E HN 0.296 nan 8.360 nan 0.000 0.452 133 Y N -0.088 120.183 120.300 -0.048 0.000 2.081 133 Y HA -0.303 4.247 4.550 -0.001 0.000 0.280 133 Y C 1.708 177.495 175.900 -0.189 0.000 1.163 133 Y CA 1.915 59.873 58.100 -0.237 0.000 1.135 133 Y CB -0.363 37.860 38.460 -0.396 0.000 0.970 133 Y HN 0.088 nan 8.280 nan 0.000 0.498 134 W N -1.503 119.942 121.300 0.242 0.000 2.476 134 W HA -0.090 4.570 4.660 -0.000 0.000 0.281 134 W C 2.239 178.808 176.519 0.082 0.000 1.230 134 W CA 0.610 58.043 57.345 0.147 0.000 1.287 134 W CB -0.845 28.748 29.460 0.220 0.000 1.108 134 W HN 0.315 nan 8.180 nan 0.000 0.567 135 W N 1.442 122.865 121.300 0.204 0.000 2.333 135 W HA -0.295 4.364 4.660 -0.001 0.000 0.316 135 W C 2.356 178.882 176.519 0.011 0.000 1.215 135 W CA 3.260 60.673 57.345 0.114 0.000 1.278 135 W CB -0.828 28.713 29.460 0.134 0.000 1.154 135 W HN -0.135 nan 8.180 nan 0.000 0.486 136 A N 1.023 123.896 122.820 0.090 0.000 1.873 136 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 136 A C 2.163 179.517 177.584 -0.383 0.000 1.193 136 A CA 3.198 55.114 52.037 -0.202 0.000 0.629 136 A CB -1.732 17.238 19.000 -0.050 0.000 0.826 136 A HN 0.579 nan 8.150 nan 0.000 0.447 137 A N -0.614 122.011 122.820 -0.325 0.000 1.908 137 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 137 A C 2.047 179.549 177.584 -0.136 0.000 1.181 137 A CA 2.081 53.971 52.037 -0.246 0.000 0.627 137 A CB -0.631 18.272 19.000 -0.161 0.000 0.818 137 A HN 0.717 nan 8.150 nan 0.000 0.445 138 E N -0.712 119.438 120.200 -0.084 0.000 2.051 138 E HA -0.244 4.106 4.350 -0.001 0.000 0.192 138 E C 2.207 178.624 176.600 -0.305 0.000 0.991 138 E CA 1.363 57.752 56.400 -0.020 0.000 0.799 138 E CB -0.138 29.581 29.700 0.032 0.000 0.748 138 E HN 0.607 nan 8.360 nan 0.000 0.449 139 Q N 0.194 119.572 119.800 -0.703 0.000 2.061 139 Q HA -0.224 4.115 4.340 -0.001 0.000 0.204 139 Q C 2.211 177.632 176.000 -0.966 0.000 0.984 139 Q CA 1.490 56.634 55.803 -1.098 0.000 0.846 139 Q CB -0.589 26.940 28.738 -2.016 0.000 0.902 139 Q HN 0.450 nan 8.270 nan 0.000 0.421 140 M N 0.413 119.573 119.600 -0.733 0.000 2.149 140 M HA -0.141 4.338 4.480 -0.001 0.000 0.261 140 M C 1.715 177.872 176.300 -0.238 0.000 1.064 140 M CA 1.510 56.600 55.300 -0.350 0.000 1.102 140 M CB -0.385 32.099 32.600 -0.193 0.000 1.369 140 M HN 0.193 nan 8.290 nan 0.000 0.408 141 L N -0.159 120.990 121.223 -0.123 0.000 2.509 141 L HA 0.025 4.364 4.340 -0.001 0.000 0.222 141 L C 0.244 177.186 176.870 0.121 0.000 1.123 141 L CA 0.189 55.080 54.840 0.085 0.000 0.856 141 L CB -0.073 42.124 42.059 0.231 0.000 0.985 141 L HN 0.118 nan 8.230 nan 0.000 0.456 142 T N 0.001 114.507 114.554 -0.079 0.000 2.832 142 T HA 0.181 4.531 4.350 -0.001 0.000 0.313 142 T C -0.747 173.906 174.700 -0.078 0.000 1.035 142 T CA -0.424 61.627 62.100 -0.081 0.000 0.950 142 T CB 0.036 68.778 68.868 -0.209 0.000 0.984 142 T HN 0.017 nan 8.240 nan 0.000 0.486 143 W N 3.669 124.909 121.300 -0.100 0.000 2.251 143 W HA 0.320 4.980 4.660 -0.001 0.000 0.329 143 W C -1.338 175.147 176.519 -0.057 0.000 1.234 143 W CA -1.868 55.441 57.345 -0.061 0.000 1.228 143 W CB -0.141 29.290 29.460 -0.048 0.000 1.135 143 W HN 0.484 nan 8.180 nan 0.000 0.576 144 P HA -0.230 nan 4.420 nan 0.000 0.218 144 P C 0.038 177.383 177.300 0.074 0.000 1.154 144 P CA 1.720 64.866 63.100 0.077 0.000 0.872 144 P CB 0.182 31.933 31.700 0.085 0.000 0.790 145 D N -1.828 118.636 120.400 0.107 0.000 2.373 145 D HA 0.138 4.778 4.640 -0.001 0.000 0.227 145 D C -1.930 174.395 176.300 0.041 0.000 1.091 145 D CA -2.554 51.483 54.000 0.062 0.000 0.840 145 D CB 0.762 41.599 40.800 0.062 0.000 1.060 145 D HN -0.058 nan 8.370 nan 0.000 0.502 146 P HA -0.035 nan 4.420 nan 0.000 0.234 146 P C 0.212 177.504 177.300 -0.014 0.000 1.162 146 P CA 0.669 63.763 63.100 -0.010 0.000 0.759 146 P CB 0.462 32.148 31.700 -0.023 0.000 0.813 147 D N -1.040 119.357 120.400 -0.006 0.000 2.338 147 D HA 0.052 4.692 4.640 -0.001 0.000 0.208 147 D C 0.564 176.850 176.300 -0.023 0.000 0.997 147 D CA 0.732 54.725 54.000 -0.012 0.000 0.880 147 D CB 0.191 40.988 40.800 -0.005 0.000 0.980 147 D HN 0.177 nan 8.370 nan 0.000 0.509 148 K N 1.160 121.547 120.400 -0.023 0.000 2.724 148 K HA 0.295 4.615 4.320 -0.001 0.000 0.198 148 K C -2.577 173.955 176.600 -0.113 0.000 1.099 148 K CA -1.454 54.792 56.287 -0.069 0.000 1.025 148 K CB 2.021 34.491 32.500 -0.051 0.000 1.509 148 K HN -0.012 nan 8.250 nan 0.000 0.564 149 P HA -0.065 nan 4.420 nan 0.000 0.280 149 P C -0.365 176.653 177.300 -0.470 0.000 1.278 149 P CA -0.351 62.659 63.100 -0.150 0.000 0.787 149 P CB 0.479 32.131 31.700 -0.079 0.000 1.163 150 A N 1.505 124.028 122.820 -0.495 0.000 2.561 150 A HA 0.057 4.377 4.320 -0.001 0.000 0.234 150 A C 0.725 178.084 177.584 -0.376 0.000 1.055 150 A CA 0.383 52.065 52.037 -0.592 0.000 0.756 150 A CB -0.794 18.161 19.000 -0.076 0.000 0.986 150 A HN 0.726 nan 8.150 nan 0.000 0.505 151 N N 0.582 119.053 118.700 -0.383 0.000 2.194 151 N HA 0.272 5.012 4.740 -0.001 0.000 0.231 151 N C -0.697 174.728 175.510 -0.142 0.000 1.247 151 N CA -0.151 52.784 53.050 -0.192 0.000 0.884 151 N CB 0.602 39.042 38.487 -0.078 0.000 1.146 151 N HN 0.395 nan 8.380 nan 0.000 0.516 152 M N 0.731 120.205 119.600 -0.210 0.000 2.426 152 M HA 0.420 4.899 4.480 -0.001 0.000 0.289 152 M C -1.641 174.545 176.300 -0.190 0.000 1.168 152 M CA -0.387 54.804 55.300 -0.182 0.000 0.933 152 M CB 2.253 34.754 32.600 -0.166 0.000 1.750 152 M HN -0.051 nan 8.290 nan 0.000 0.494 153 I N 2.487 122.928 120.570 -0.215 0.000 2.530 153 I HA 0.568 4.738 4.170 -0.001 0.000 0.297 153 I C -0.958 175.071 176.117 -0.147 0.000 1.011 153 I CA -0.888 60.300 61.300 -0.187 0.000 1.107 153 I CB 2.563 40.434 38.000 -0.215 0.000 1.285 153 I HN 0.559 nan 8.210 nan 0.000 0.436 154 L N 5.601 126.715 121.223 -0.181 0.000 2.316 154 L HA 0.518 4.858 4.340 -0.001 0.000 0.280 154 L C -1.372 175.380 176.870 -0.197 0.000 1.006 154 L CA -0.168 54.580 54.840 -0.154 0.000 0.836 154 L CB 0.979 42.950 42.059 -0.147 0.000 1.221 154 L HN 0.499 nan 8.230 nan 0.000 0.418 155 D N 2.680 123.026 120.400 -0.091 0.000 2.481 155 D HA 0.311 4.951 4.640 -0.001 0.000 0.244 155 D C -1.582 174.706 176.300 -0.020 0.000 1.057 155 D CA -0.196 53.760 54.000 -0.074 0.000 0.848 155 D CB 2.409 43.197 40.800 -0.021 0.000 1.388 155 D HN 0.364 nan 8.370 nan 0.000 0.475 156 D N 1.307 121.685 120.400 -0.037 0.000 2.440 156 D HA 0.469 5.108 4.640 -0.001 0.000 0.252 156 D C 0.856 177.140 176.300 -0.027 0.000 1.180 156 D CA -0.086 53.908 54.000 -0.010 0.000 0.894 156 D CB 0.590 41.383 40.800 -0.011 0.000 1.111 156 D HN 0.629 nan 8.370 nan 0.000 0.544 157 G N 2.220 111.024 108.800 0.008 0.000 2.232 157 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.226 157 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.226 157 G C 1.014 176.014 174.900 0.166 0.000 0.996 157 G CA 0.303 45.417 45.100 0.023 0.000 0.626 157 G HN 1.474 nan 8.290 nan 0.000 0.509 158 G N -0.328 108.557 108.800 0.141 0.000 2.141 158 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.242 158 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.242 158 G C 0.578 175.615 174.900 0.229 0.000 0.982 158 G CA 1.051 46.263 45.100 0.187 0.000 0.662 158 G HN 0.649 nan 8.290 nan 0.000 0.527 159 D N 0.162 120.702 120.400 0.233 0.000 2.234 159 D HA 0.246 4.886 4.640 -0.001 0.000 0.205 159 D C 2.528 179.004 176.300 0.292 0.000 0.962 159 D CA 1.372 55.567 54.000 0.325 0.000 0.855 159 D CB -0.260 40.719 40.800 0.298 0.000 0.951 159 D HN 0.651 nan 8.370 nan 0.000 0.500 160 A N 0.094 122.994 122.820 0.133 0.000 1.898 160 A HA -0.082 4.238 4.320 -0.001 0.000 0.214 160 A C 2.291 179.930 177.584 0.091 0.000 1.183 160 A CA 1.522 53.606 52.037 0.079 0.000 0.622 160 A CB -0.705 18.277 19.000 -0.030 0.000 0.824 160 A HN 0.163 nan 8.150 nan 0.000 0.444 161 T N -0.199 114.417 114.554 0.103 0.000 2.746 161 T HA -0.158 4.192 4.350 -0.001 0.000 0.267 161 T C 1.964 176.700 174.700 0.059 0.000 1.039 161 T CA 1.632 63.797 62.100 0.109 0.000 1.142 161 T CB -0.280 68.664 68.868 0.126 0.000 0.866 161 T HN 0.423 nan 8.240 nan 0.000 0.444 162 M N 0.330 120.029 119.600 0.165 0.000 2.117 162 M HA -0.049 4.431 4.480 -0.001 0.000 0.262 162 M C 2.175 178.568 176.300 0.155 0.000 1.065 162 M CA 1.378 56.812 55.300 0.223 0.000 1.114 162 M CB -0.249 32.502 32.600 0.252 0.000 1.361 162 M HN 0.191 nan 8.290 nan 0.000 0.408 163 L N -0.099 121.210 121.223 0.143 0.000 2.042 163 L HA -0.168 4.171 4.340 -0.001 0.000 0.210 163 L C 2.051 178.640 176.870 -0.469 0.000 1.076 163 L CA 1.587 56.344 54.840 -0.138 0.000 0.749 163 L CB -0.559 41.420 42.059 -0.133 0.000 0.893 163 L HN 0.128 nan 8.230 nan 0.000 0.432 164 V N -0.987 118.820 119.914 -0.179 0.000 2.407 164 V HA -0.223 3.896 4.120 -0.001 0.000 0.245 164 V C 2.388 178.472 176.094 -0.017 0.000 1.041 164 V CA 1.578 63.873 62.300 -0.009 0.000 1.040 164 V CB -0.371 31.560 31.823 0.180 0.000 0.671 164 V HN 0.367 nan 8.190 nan 0.000 0.455 165 L N -0.839 120.320 121.223 -0.107 0.000 2.131 165 L HA -0.024 4.316 4.340 -0.001 0.000 0.206 165 L C 2.845 179.626 176.870 -0.148 0.000 1.087 165 L CA 1.135 55.835 54.840 -0.234 0.000 0.767 165 L CB -0.510 41.122 42.059 -0.713 0.000 0.917 165 L HN 0.222 nan 8.230 nan 0.000 0.441 166 R N 0.149 120.601 120.500 -0.080 0.000 2.090 166 R HA -0.030 4.310 4.340 -0.001 0.000 0.228 166 R C 2.271 178.405 176.300 -0.277 0.000 1.110 166 R CA 1.198 57.200 56.100 -0.164 0.000 0.973 166 R CB -0.830 29.517 30.300 0.079 0.000 0.869 166 R HN 0.358 nan 8.270 nan 0.000 0.440 167 G N 1.507 110.150 108.800 -0.262 0.000 2.476 167 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.218 167 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.218 167 G C 1.460 176.393 174.900 0.055 0.000 1.164 167 G CA 1.022 45.932 45.100 -0.316 0.000 0.768 167 G HN 0.310 nan 8.290 nan 0.000 0.560 168 M N 0.123 119.760 119.600 0.063 0.000 2.349 168 M HA 0.062 4.542 4.480 -0.001 0.000 0.266 168 M C 2.551 178.838 176.300 -0.020 0.000 1.076 168 M CA 1.703 57.055 55.300 0.086 0.000 1.126 168 M CB -0.093 32.558 32.600 0.085 0.000 1.392 168 M HN 0.419 nan 8.290 nan 0.000 0.440 169 Q N -0.227 119.486 119.800 -0.146 0.000 2.079 169 Q HA -0.204 4.136 4.340 -0.001 0.000 0.200 169 Q C 1.239 177.119 176.000 -0.201 0.000 0.974 169 Q CA 1.851 57.521 55.803 -0.222 0.000 0.840 169 Q CB -0.276 28.234 28.738 -0.379 0.000 0.898 169 Q HN 0.649 nan 8.270 nan 0.000 0.430 170 Y N 0.931 121.176 120.300 -0.091 0.000 2.395 170 Y HA 0.024 4.573 4.550 -0.001 0.000 0.293 170 Y C 1.832 177.525 175.900 -0.345 0.000 1.123 170 Y CA 0.863 58.837 58.100 -0.210 0.000 1.227 170 Y CB -0.003 38.293 38.460 -0.274 0.000 1.012 170 Y HN 0.245 nan 8.280 nan 0.000 0.552 171 E N 0.116 120.269 120.200 -0.079 0.000 2.152 171 E HA -0.147 4.203 4.350 -0.001 0.000 0.192 171 E C 1.829 178.480 176.600 0.085 0.000 0.983 171 E CA 0.866 57.260 56.400 -0.010 0.000 0.818 171 E CB -0.009 29.805 29.700 0.190 0.000 0.758 171 E HN 0.443 nan 8.360 nan 0.000 0.467 172 K N 0.327 120.755 120.400 0.047 0.000 2.116 172 K HA 0.040 4.359 4.320 -0.001 0.000 0.203 172 K C 2.071 178.701 176.600 0.051 0.000 1.052 172 K CA 0.785 57.104 56.287 0.055 0.000 0.952 172 K CB 0.082 32.600 32.500 0.030 0.000 0.729 172 K HN -0.007 nan 8.250 nan 0.000 0.446 173 A N 0.571 123.413 122.820 0.036 0.000 2.067 173 A HA 0.020 4.340 4.320 -0.001 0.000 0.219 173 A C 1.596 179.214 177.584 0.058 0.000 1.158 173 A CA 1.386 53.453 52.037 0.050 0.000 0.661 173 A CB -0.636 18.412 19.000 0.080 0.000 0.801 173 A HN 0.455 nan 8.150 nan 0.000 0.452 174 G N -2.654 106.182 108.800 0.059 0.000 2.143 174 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.249 174 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.249 174 G C 0.124 175.127 174.900 0.171 0.000 0.981 174 G CA 0.452 45.669 45.100 0.195 0.000 0.665 174 G HN 1.568 nan 8.290 nan 0.000 0.528 175 V N -0.816 119.030 119.914 -0.113 0.000 3.098 175 V HA 0.556 4.675 4.120 -0.001 0.000 0.294 175 V C -0.828 175.091 176.094 -0.291 0.000 1.351 175 V CA -0.465 61.758 62.300 -0.128 0.000 0.999 175 V CB 2.359 34.185 31.823 0.005 0.000 1.104 175 V HN 0.622 nan 8.190 nan 0.000 0.438 176 V N 7.294 126.990 119.914 -0.363 0.000 2.347 176 V HA 0.482 4.602 4.120 -0.001 0.000 0.280 176 V C -2.132 173.703 176.094 -0.431 0.000 1.021 176 V CA -1.544 60.405 62.300 -0.585 0.000 0.847 176 V CB 1.524 33.034 31.823 -0.522 0.000 0.990 176 V HN 0.829 nan 8.190 nan 0.000 0.444 177 P HA 0.299 nan 4.420 nan 0.000 0.272 177 P C -2.650 174.539 177.300 -0.185 0.000 1.240 177 P CA -1.240 61.727 63.100 -0.222 0.000 0.791 177 P CB -0.216 31.403 31.700 -0.135 0.000 0.978 178 P HA 0.213 nan 4.420 nan 0.000 0.274 178 P C -0.837 176.440 177.300 -0.038 0.000 1.237 178 P CA -0.332 62.725 63.100 -0.071 0.000 0.793 178 P CB 0.310 31.990 31.700 -0.034 0.000 0.977 179 A N 2.153 124.955 122.820 -0.031 0.000 2.409 179 A HA 0.211 4.531 4.320 -0.001 0.000 0.262 179 A C 0.485 178.099 177.584 0.050 0.000 1.113 179 A CA -0.405 51.655 52.037 0.038 0.000 0.790 179 A CB -0.262 18.752 19.000 0.022 0.000 1.046 179 A HN 0.484 nan 8.150 nan 0.000 0.496 180 E N 2.190 122.437 120.200 0.079 0.000 2.390 180 E HA 0.026 4.376 4.350 -0.001 0.000 0.261 180 E C 0.348 176.978 176.600 0.050 0.000 1.076 180 E CA -0.281 56.150 56.400 0.052 0.000 0.905 180 E CB 0.612 30.340 29.700 0.046 0.000 0.984 180 E HN 0.763 nan 8.360 nan 0.000 0.427 181 E N 0.772 120.992 120.200 0.033 0.000 2.331 181 E HA -0.181 4.168 4.350 -0.001 0.000 0.199 181 E C 0.913 177.533 176.600 0.032 0.000 1.008 181 E CA 1.130 57.549 56.400 0.031 0.000 0.843 181 E CB 0.188 29.901 29.700 0.022 0.000 0.761 181 E HN 0.461 nan 8.360 nan 0.000 0.507 182 D N -0.025 120.392 120.400 0.029 0.000 2.360 182 D HA -0.045 4.595 4.640 -0.001 0.000 0.210 182 D C 0.057 176.372 176.300 0.024 0.000 1.047 182 D CA -0.097 53.915 54.000 0.019 0.000 0.854 182 D CB -0.091 40.712 40.800 0.004 0.000 0.936 182 D HN -0.159 nan 8.370 nan 0.000 0.514 183 D N 2.640 123.072 120.400 0.054 0.000 2.506 183 D HA 0.077 4.717 4.640 -0.001 0.000 0.234 183 D C -2.123 174.229 176.300 0.086 0.000 1.143 183 D CA -0.734 53.318 54.000 0.088 0.000 0.871 183 D CB 0.435 41.376 40.800 0.235 0.000 1.190 183 D HN 0.087 nan 8.370 nan 0.000 0.459 184 P HA -0.012 nan 4.420 nan 0.000 0.262 184 P C 0.193 177.574 177.300 0.135 0.000 1.182 184 P CA 0.029 63.169 63.100 0.067 0.000 0.761 184 P CB 0.594 32.302 31.700 0.013 0.000 0.795 185 A N 3.964 126.842 122.820 0.096 0.000 1.958 185 A HA -0.272 4.048 4.320 -0.001 0.000 0.221 185 A C 2.072 179.739 177.584 0.138 0.000 1.178 185 A CA 1.865 53.964 52.037 0.103 0.000 0.642 185 A CB -0.993 18.055 19.000 0.081 0.000 0.816 185 A HN 0.652 nan 8.150 nan 0.000 0.453 186 E N -1.506 118.786 120.200 0.154 0.000 2.208 186 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 186 E C 1.813 178.579 176.600 0.276 0.000 0.988 186 E CA 0.515 57.055 56.400 0.234 0.000 0.828 186 E CB -0.204 29.616 29.700 0.199 0.000 0.763 186 E HN 0.863 nan 8.360 nan 0.000 0.478 187 W N 1.759 123.063 121.300 0.006 0.000 2.379 187 W HA -0.189 4.471 4.660 -0.001 0.000 0.307 187 W C 1.663 178.209 176.519 0.046 0.000 1.200 187 W CA 1.236 58.573 57.345 -0.013 0.000 1.297 187 W CB 0.096 29.521 29.460 -0.058 0.000 1.140 187 W HN -0.012 nan 8.180 nan 0.000 0.507 188 K N -0.035 120.421 120.400 0.093 0.000 2.026 188 K HA -0.182 4.138 4.320 -0.001 0.000 0.208 188 K C 1.740 178.292 176.600 -0.080 0.000 1.048 188 K CA 1.723 57.992 56.287 -0.031 0.000 0.929 188 K CB -0.890 31.634 32.500 0.040 0.000 0.713 188 K HN 0.025 nan 8.250 nan 0.000 0.439 189 V N 1.381 121.301 119.914 0.009 0.000 2.343 189 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 189 V C 2.021 178.032 176.094 -0.137 0.000 1.051 189 V CA 1.684 64.002 62.300 0.029 0.000 1.036 189 V CB -0.510 31.431 31.823 0.197 0.000 0.654 189 V HN 0.230 nan 8.190 nan 0.000 0.451 190 F N 0.295 119.944 119.950 -0.502 0.000 2.075 190 F HA -0.184 4.343 4.527 -0.001 0.000 0.297 190 F C 2.110 177.439 175.800 -0.785 0.000 1.113 190 F CA 1.784 59.181 58.000 -1.006 0.000 1.218 190 F CB -0.256 38.067 39.000 -1.127 0.000 0.984 190 F HN 0.002 nan 8.300 nan 0.000 0.472 191 L N 0.332 121.134 121.223 -0.701 0.000 2.083 191 L HA -0.263 4.077 4.340 -0.001 0.000 0.209 191 L C 2.100 178.677 176.870 -0.487 0.000 1.083 191 L CA 1.327 55.744 54.840 -0.705 0.000 0.752 191 L CB -0.970 40.719 42.059 -0.617 0.000 0.899 191 L HN 0.213 nan 8.230 nan 0.000 0.433 192 N N 0.286 118.787 118.700 -0.331 0.000 2.272 192 N HA -0.206 4.534 4.740 -0.001 0.000 0.185 192 N C 1.772 177.170 175.510 -0.187 0.000 1.014 192 N CA 1.065 53.996 53.050 -0.199 0.000 0.870 192 N CB -0.270 38.155 38.487 -0.104 0.000 0.975 192 N HN 0.298 nan 8.380 nan 0.000 0.433 193 L N 0.255 121.305 121.223 -0.288 0.000 2.044 193 L HA 0.007 4.346 4.340 -0.001 0.000 0.205 193 L C 1.968 178.731 176.870 -0.177 0.000 1.075 193 L CA 0.928 55.641 54.840 -0.210 0.000 0.747 193 L CB -0.134 41.730 42.059 -0.324 0.000 0.903 193 L HN 0.073 nan 8.230 nan 0.000 0.435 194 L N -0.746 120.257 121.223 -0.367 0.000 2.093 194 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 194 L C 2.774 179.601 176.870 -0.071 0.000 1.085 194 L CA 1.063 55.770 54.840 -0.222 0.000 0.755 194 L CB -0.448 41.330 42.059 -0.469 0.000 0.904 194 L HN 0.262 nan 8.230 nan 0.000 0.435 195 R N -0.373 120.036 120.500 -0.152 0.000 2.066 195 R HA -0.135 4.204 4.340 -0.001 0.000 0.232 195 R C 2.220 178.549 176.300 0.048 0.000 1.131 195 R CA 1.946 58.014 56.100 -0.054 0.000 0.955 195 R CB -0.167 30.062 30.300 -0.119 0.000 0.851 195 R HN 0.235 nan 8.270 nan 0.000 0.432 196 T N 0.184 114.744 114.554 0.010 0.000 2.867 196 T HA -0.096 4.253 4.350 -0.001 0.000 0.268 196 T C 1.643 176.378 174.700 0.058 0.000 1.057 196 T CA 1.135 63.253 62.100 0.031 0.000 1.136 196 T CB -0.165 68.714 68.868 0.018 0.000 0.874 196 T HN 0.126 nan 8.240 nan 0.000 0.466 197 R N 0.635 121.190 120.500 0.093 0.000 2.115 197 R HA 0.113 4.453 4.340 -0.001 0.000 0.226 197 R C 1.786 178.164 176.300 0.131 0.000 1.100 197 R CA 0.867 57.029 56.100 0.103 0.000 0.980 197 R CB -0.969 29.427 30.300 0.160 0.000 0.875 197 R HN 0.385 nan 8.270 nan 0.000 0.445 198 F N 2.042 121.998 119.950 0.010 0.000 2.259 198 F HA -0.015 4.511 4.527 -0.001 0.000 0.298 198 F C 1.762 177.556 175.800 -0.010 0.000 1.088 198 F CA 1.545 59.550 58.000 0.008 0.000 1.358 198 F CB -0.227 38.784 39.000 0.018 0.000 1.040 198 F HN 0.286 nan 8.300 nan 0.000 0.505 199 E N -0.807 119.379 120.200 -0.023 0.000 2.516 199 E HA -0.133 4.216 4.350 -0.001 0.000 0.199 199 E C 1.209 177.736 176.600 -0.123 0.000 1.069 199 E CA 1.420 57.751 56.400 -0.115 0.000 0.876 199 E CB -0.575 29.105 29.700 -0.034 0.000 0.843 199 E HN 0.481 nan 8.360 nan 0.000 0.530 200 T N -3.208 111.284 114.554 -0.104 0.000 2.969 200 T HA 0.083 4.433 4.350 -0.001 0.000 0.258 200 T C -0.029 174.603 174.700 -0.112 0.000 0.962 200 T CA -0.101 61.942 62.100 -0.095 0.000 0.903 200 T CB 0.651 69.485 68.868 -0.056 0.000 1.177 200 T HN 0.021 nan 8.240 nan 0.000 0.511 201 D N 0.694 121.021 120.400 -0.122 0.000 2.319 201 D HA 0.271 4.910 4.640 -0.001 0.000 0.237 201 D C 0.188 176.447 176.300 -0.068 0.000 1.353 201 D CA -0.379 53.556 54.000 -0.109 0.000 0.992 201 D CB 1.503 42.234 40.800 -0.114 0.000 1.368 201 D HN 0.099 nan 8.370 nan 0.000 0.564 202 K N 1.309 121.649 120.400 -0.099 0.000 2.404 202 K HA 0.073 4.393 4.320 -0.001 0.000 0.194 202 K C 0.470 177.174 176.600 0.174 0.000 1.023 202 K CA 0.219 56.503 56.287 -0.004 0.000 1.094 202 K CB 0.888 33.253 32.500 -0.226 0.000 0.841 202 K HN 0.352 nan 8.250 nan 0.000 0.523 203 D N 0.013 120.451 120.400 0.063 0.000 2.556 203 D HA -0.002 4.637 4.640 -0.001 0.000 0.237 203 D C 1.140 177.428 176.300 -0.019 0.000 1.296 203 D CA -0.247 53.785 54.000 0.053 0.000 0.807 203 D CB 0.232 41.045 40.800 0.021 0.000 1.084 203 D HN -0.113 nan 8.370 nan 0.000 0.510 204 K N 0.410 120.739 120.400 -0.119 0.000 1.985 204 K HA -0.130 4.190 4.320 -0.001 0.000 0.210 204 K C 1.304 177.688 176.600 -0.359 0.000 1.047 204 K CA 1.563 57.634 56.287 -0.360 0.000 0.932 204 K CB -0.102 31.991 32.500 -0.677 0.000 0.716 204 K HN 0.151 nan 8.250 nan 0.000 0.439 205 W N 0.644 121.966 121.300 0.037 0.000 2.418 205 W HA -0.063 4.596 4.660 -0.001 0.000 0.292 205 W C 2.303 178.842 176.519 0.033 0.000 1.213 205 W CA 0.826 58.187 57.345 0.027 0.000 1.283 205 W CB -0.540 28.929 29.460 0.014 0.000 1.119 205 W HN 0.099 nan 8.180 nan 0.000 0.542 206 T N 0.570 115.251 114.554 0.213 0.000 2.699 206 T HA -0.250 4.100 4.350 -0.001 0.000 0.268 206 T C 1.888 176.643 174.700 0.091 0.000 1.036 206 T CA 1.435 63.613 62.100 0.131 0.000 1.147 206 T CB -0.271 68.656 68.868 0.099 0.000 0.862 206 T HN -0.070 nan 8.240 nan 0.000 0.446 207 K N 1.067 121.496 120.400 0.047 0.000 2.026 207 K HA 0.028 4.347 4.320 -0.001 0.000 0.208 207 K C 2.226 178.844 176.600 0.029 0.000 1.048 207 K CA 1.186 57.483 56.287 0.017 0.000 0.929 207 K CB -0.558 31.925 32.500 -0.028 0.000 0.713 207 K HN 0.420 nan 8.250 nan 0.000 0.439 208 I N 0.675 121.271 120.570 0.044 0.000 2.315 208 I HA -0.213 3.956 4.170 -0.001 0.000 0.248 208 I C 2.406 178.589 176.117 0.110 0.000 1.117 208 I CA 1.146 62.487 61.300 0.068 0.000 1.404 208 I CB -0.404 37.669 38.000 0.122 0.000 1.071 208 I HN 0.019 nan 8.210 nan 0.000 0.419 209 A N 0.559 123.489 122.820 0.184 0.000 2.019 209 A HA -0.185 4.134 4.320 -0.001 0.000 0.219 209 A C 2.178 179.902 177.584 0.232 0.000 1.164 209 A CA 1.610 53.808 52.037 0.268 0.000 0.644 209 A CB -0.468 18.669 19.000 0.229 0.000 0.805 209 A HN 0.491 nan 8.150 nan 0.000 0.449 210 E N -1.155 119.125 120.200 0.133 0.000 2.318 210 E HA -0.015 4.335 4.350 -0.001 0.000 0.193 210 E C 1.989 178.632 176.600 0.071 0.000 0.998 210 E CA 0.623 57.083 56.400 0.101 0.000 0.859 210 E CB 0.068 29.808 29.700 0.066 0.000 0.812 210 E HN 0.530 nan 8.360 nan 0.000 0.492 211 S N 0.248 115.974 115.700 0.042 0.000 2.414 211 S HA -0.016 4.454 4.470 -0.001 0.000 0.227 211 S C 0.942 175.530 174.600 -0.021 0.000 1.022 211 S CA 0.064 58.263 58.200 -0.002 0.000 0.958 211 S CB 0.224 63.398 63.200 -0.042 0.000 0.797 211 S HN -0.049 nan 8.310 nan 0.000 0.493 212 V N 4.178 124.064 119.914 -0.047 0.000 2.425 212 V HA 0.071 4.191 4.120 -0.001 0.000 0.276 212 V C 0.923 176.938 176.094 -0.130 0.000 1.017 212 V CA 0.191 62.371 62.300 -0.200 0.000 1.062 212 V CB 0.784 32.301 31.823 -0.510 0.000 0.997 212 V HN 0.348 nan 8.190 nan 0.000 0.476 213 K N 3.770 124.132 120.400 -0.064 0.000 2.366 213 K HA 0.239 4.559 4.320 -0.001 0.000 0.198 213 K C 0.785 177.389 176.600 0.005 0.000 1.044 213 K CA 0.720 57.022 56.287 0.025 0.000 0.973 213 K CB 0.312 32.875 32.500 0.105 0.000 0.767 213 K HN 0.840 nan 8.250 nan 0.000 0.475 214 G N -0.467 108.257 108.800 -0.125 0.000 2.338 214 G HA2 0.309 4.269 3.960 -0.001 0.000 0.295 214 G HA3 0.309 4.269 3.960 -0.001 0.000 0.295 214 G C -1.975 172.801 174.900 -0.206 0.000 1.461 214 G CA -0.589 44.456 45.100 -0.093 0.000 0.817 214 G HN -0.086 nan 8.290 nan 0.000 0.556 215 V N 0.301 120.178 119.914 -0.061 0.000 2.735 215 V HA 0.880 5.000 4.120 -0.001 0.000 0.310 215 V C -0.151 175.945 176.094 0.003 0.000 1.061 215 V CA 0.115 62.386 62.300 -0.048 0.000 0.913 215 V CB 2.295 34.152 31.823 0.056 0.000 1.005 215 V HN 1.545 nan 8.190 nan 0.000 0.428 216 T N 2.166 116.714 114.554 -0.009 0.000 2.786 216 T HA 0.718 5.068 4.350 -0.001 0.000 0.283 216 T C -0.751 173.967 174.700 0.030 0.000 0.992 216 T CA -0.592 61.518 62.100 0.017 0.000 0.954 216 T CB 1.531 70.406 68.868 0.012 0.000 0.934 216 T HN 0.715 nan 8.240 nan 0.000 0.440 217 E N 1.687 121.914 120.200 0.044 0.000 2.171 217 E HA 0.377 4.727 4.350 -0.001 0.000 0.271 217 E C 0.680 177.313 176.600 0.054 0.000 0.916 217 E CA -0.689 55.736 56.400 0.043 0.000 0.774 217 E CB 1.944 31.664 29.700 0.033 0.000 1.128 217 E HN 0.758 nan 8.360 nan 0.000 0.403 218 E N 2.519 122.758 120.200 0.066 0.000 2.075 218 E HA 0.062 4.412 4.350 -0.001 0.000 0.190 218 E C 0.125 176.763 176.600 0.064 0.000 0.969 218 E CA 0.825 57.281 56.400 0.093 0.000 0.815 218 E CB 0.230 30.015 29.700 0.143 0.000 0.776 218 E HN 0.431 nan 8.360 nan 0.000 0.457 219 T N -1.501 113.078 114.554 0.041 0.000 2.940 219 T HA 0.256 4.606 4.350 -0.001 0.000 0.288 219 T C 0.796 175.494 174.700 -0.004 0.000 1.045 219 T CA 0.012 62.125 62.100 0.023 0.000 1.018 219 T CB 1.379 70.259 68.868 0.019 0.000 1.151 219 T HN 0.134 nan 8.240 nan 0.000 0.529 220 T N 1.630 116.177 114.554 -0.010 0.000 2.665 220 T HA -0.137 4.212 4.350 -0.001 0.000 0.268 220 T C 1.995 176.679 174.700 -0.028 0.000 1.035 220 T CA 2.202 64.288 62.100 -0.023 0.000 1.151 220 T CB -0.657 68.198 68.868 -0.020 0.000 0.862 220 T HN 0.671 nan 8.240 nan 0.000 0.438 221 T N 0.989 115.536 114.554 -0.012 0.000 2.708 221 T HA -0.030 4.320 4.350 -0.001 0.000 0.266 221 T C 2.280 177.015 174.700 0.058 0.000 1.037 221 T CA 1.428 63.550 62.100 0.037 0.000 1.146 221 T CB -0.903 67.992 68.868 0.045 0.000 0.865 221 T HN 0.555 nan 8.240 nan 0.000 0.435 222 G N 0.556 109.377 108.800 0.035 0.000 2.442 222 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.219 222 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.219 222 G C 1.684 176.581 174.900 -0.005 0.000 1.141 222 G CA 0.840 45.973 45.100 0.055 0.000 0.763 222 G HN 0.444 nan 8.290 nan 0.000 0.554 223 V N 0.575 120.436 119.914 -0.088 0.000 2.427 223 V HA -0.089 4.031 4.120 -0.001 0.000 0.248 223 V C 2.644 178.473 176.094 -0.442 0.000 1.051 223 V CA 1.473 63.616 62.300 -0.262 0.000 1.048 223 V CB -0.187 31.469 31.823 -0.278 0.000 0.666 223 V HN 0.380 nan 8.190 nan 0.000 0.456 224 L N 0.578 121.668 121.223 -0.223 0.000 2.012 224 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 224 L C 2.527 179.382 176.870 -0.025 0.000 1.073 224 L CA 1.951 56.736 54.840 -0.093 0.000 0.748 224 L CB -0.775 41.297 42.059 0.021 0.000 0.891 224 L HN 0.192 nan 8.230 nan 0.000 0.431 225 R N -0.665 119.840 120.500 0.009 0.000 2.103 225 R HA -0.181 4.159 4.340 -0.001 0.000 0.242 225 R C 2.347 178.723 176.300 0.128 0.000 1.142 225 R CA 1.931 58.058 56.100 0.045 0.000 0.960 225 R CB -0.672 29.712 30.300 0.140 0.000 0.858 225 R HN 0.402 nan 8.270 nan 0.000 0.439 226 L N -0.488 120.799 121.223 0.106 0.000 2.191 226 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 226 L C 1.935 178.917 176.870 0.187 0.000 1.103 226 L CA 0.994 55.922 54.840 0.146 0.000 0.769 226 L CB -0.287 41.779 42.059 0.011 0.000 0.908 226 L HN 0.232 nan 8.230 nan 0.000 0.438 227 Y N -0.318 120.029 120.300 0.079 0.000 2.337 227 Y HA -0.155 4.395 4.550 -0.001 0.000 0.293 227 Y C 2.594 178.501 175.900 0.011 0.000 1.123 227 Y CA 0.602 58.723 58.100 0.036 0.000 1.201 227 Y CB -0.522 37.948 38.460 0.016 0.000 1.011 227 Y HN 0.243 nan 8.280 nan 0.000 0.545 228 Q N -1.667 118.211 119.800 0.131 0.000 2.269 228 Q HA -0.053 4.287 4.340 -0.001 0.000 0.201 228 Q C 1.675 177.632 176.000 -0.071 0.000 0.946 228 Q CA 0.716 56.505 55.803 -0.022 0.000 0.877 228 Q CB -0.126 28.533 28.738 -0.132 0.000 0.963 228 Q HN 0.319 nan 8.270 nan 0.000 0.472 229 F N -0.067 119.895 119.950 0.020 0.000 2.206 229 F HA -0.031 4.496 4.527 -0.001 0.000 0.298 229 F C 2.166 177.955 175.800 -0.019 0.000 1.090 229 F CA 1.040 59.030 58.000 -0.016 0.000 1.323 229 F CB -0.335 38.643 39.000 -0.036 0.000 1.028 229 F HN 0.051 nan 8.300 nan 0.000 0.492 230 A N -0.482 122.455 122.820 0.195 0.000 1.970 230 A HA 0.142 4.461 4.320 -0.001 0.000 0.216 230 A C 2.343 179.965 177.584 0.064 0.000 1.170 230 A CA 1.203 53.306 52.037 0.110 0.000 0.645 230 A CB -1.072 17.999 19.000 0.118 0.000 0.816 230 A HN 0.251 nan 8.150 nan 0.000 0.447 231 A N 0.049 122.903 122.820 0.057 0.000 1.898 231 A HA 0.236 4.555 4.320 -0.001 0.000 0.216 231 A C 2.273 179.863 177.584 0.010 0.000 1.181 231 A CA 1.674 53.721 52.037 0.017 0.000 0.620 231 A CB -0.825 18.177 19.000 0.004 0.000 0.819 231 A HN 1.050 nan 8.150 nan 0.000 0.442 232 A N -1.675 121.155 122.820 0.016 0.000 2.235 232 A HA 0.401 4.720 4.320 -0.001 0.000 0.208 232 A C 1.751 179.351 177.584 0.026 0.000 1.172 232 A CA 1.202 53.246 52.037 0.012 0.000 0.786 232 A CB -1.115 17.884 19.000 -0.002 0.000 0.804 232 A HN 1.917 nan 8.150 nan 0.000 0.479 233 G N -0.790 108.028 108.800 0.031 0.000 2.159 233 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.256 233 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.256 233 G C 0.172 175.082 174.900 0.018 0.000 0.977 233 G CA 0.432 45.544 45.100 0.020 0.000 0.652 233 G HN 0.488 nan 8.290 nan 0.000 0.531 234 D N -0.389 120.042 120.400 0.052 0.000 2.424 234 D HA 0.202 4.841 4.640 -0.001 0.000 0.220 234 D C 0.587 176.837 176.300 -0.082 0.000 1.150 234 D CA -0.267 53.757 54.000 0.039 0.000 0.831 234 D CB 0.640 41.545 40.800 0.177 0.000 0.981 234 D HN 0.350 nan 8.370 nan 0.000 0.500 235 L N 1.303 122.469 121.223 -0.095 0.000 2.295 235 L HA 0.358 4.698 4.340 -0.001 0.000 0.288 235 L C 1.035 177.696 176.870 -0.348 0.000 1.079 235 L CA -0.211 54.473 54.840 -0.259 0.000 0.830 235 L CB 0.975 42.975 42.059 -0.099 0.000 1.200 235 L HN -0.098 nan 8.230 nan 0.000 0.438 236 A N 5.414 127.837 122.820 -0.662 0.000 2.251 236 A HA 0.296 4.615 4.320 -0.001 0.000 0.209 236 A C -0.018 177.369 177.584 -0.329 0.000 1.187 236 A CA 0.331 52.085 52.037 -0.471 0.000 0.823 236 A CB -0.628 18.135 19.000 -0.394 0.000 0.846 236 A HN 0.630 nan 8.150 nan 0.000 0.486 237 F N -4.253 115.700 119.950 0.005 0.000 2.645 237 F HA 0.669 5.195 4.527 -0.001 0.000 0.310 237 F C -3.357 172.479 175.800 0.059 0.000 1.102 237 F CA -3.863 54.154 58.000 0.028 0.000 0.952 237 F CB 0.201 39.206 39.000 0.008 0.000 1.326 237 F HN -0.319 nan 8.300 nan 0.000 0.456 238 P HA 0.348 nan 4.420 nan 0.000 0.267 238 P C -1.047 176.410 177.300 0.262 0.000 1.200 238 P CA 0.106 63.380 63.100 0.289 0.000 0.772 238 P CB 0.727 32.540 31.700 0.189 0.000 0.855 239 A N 3.432 126.412 122.820 0.266 0.000 2.393 239 A HA 0.652 4.971 4.320 -0.001 0.000 0.306 239 A C -0.688 177.015 177.584 0.199 0.000 1.050 239 A CA -0.718 51.437 52.037 0.198 0.000 0.724 239 A CB 0.785 19.895 19.000 0.183 0.000 1.248 239 A HN 0.429 nan 8.150 nan 0.000 0.424 240 I N 2.361 122.996 120.570 0.109 0.000 2.336 240 I HA 0.188 4.357 4.170 -0.001 0.000 0.292 240 I C -0.040 176.137 176.117 0.100 0.000 0.991 240 I CA -0.723 60.650 61.300 0.121 0.000 1.227 240 I CB 1.610 39.638 38.000 0.047 0.000 1.366 240 I HN 0.695 nan 8.210 nan 0.000 0.466 241 N N 6.485 125.254 118.700 0.115 0.000 2.508 241 N HA 0.083 4.823 4.740 -0.001 0.000 0.253 241 N C 0.501 176.057 175.510 0.077 0.000 1.145 241 N CA 0.072 53.166 53.050 0.074 0.000 0.973 241 N CB 1.109 39.644 38.487 0.080 0.000 1.305 241 N HN 0.415 nan 8.380 nan 0.000 0.506 242 V N 3.610 123.564 119.914 0.066 0.000 2.488 242 V HA -0.166 3.954 4.120 -0.001 0.000 0.246 242 V C 2.173 178.303 176.094 0.060 0.000 1.046 242 V CA 1.295 63.636 62.300 0.068 0.000 1.053 242 V CB -0.861 31.009 31.823 0.078 0.000 0.679 242 V HN 0.682 nan 8.190 nan 0.000 0.458 243 N N 0.973 119.703 118.700 0.050 0.000 2.069 243 N HA -0.235 4.505 4.740 -0.001 0.000 0.196 243 N C 1.206 176.742 175.510 0.043 0.000 1.024 243 N CA 2.020 55.093 53.050 0.039 0.000 0.869 243 N CB -0.157 38.342 38.487 0.020 0.000 1.035 243 N HN 0.424 nan 8.380 nan 0.000 0.434 244 D N -0.175 120.259 120.400 0.055 0.000 2.325 244 D HA 0.080 4.719 4.640 -0.001 0.000 0.234 244 D C -0.253 176.093 176.300 0.077 0.000 1.122 244 D CA 0.134 54.175 54.000 0.069 0.000 0.850 244 D CB -0.051 40.805 40.800 0.093 0.000 0.921 244 D HN 0.161 nan 8.370 nan 0.000 0.513 245 S N 0.068 115.808 115.700 0.066 0.000 2.558 245 S HA -0.000 4.470 4.470 -0.001 0.000 0.288 245 S C 1.937 176.570 174.600 0.055 0.000 1.318 245 S CA -0.522 57.712 58.200 0.057 0.000 1.056 245 S CB 1.869 65.094 63.200 0.041 0.000 0.853 245 S HN -0.038 nan 8.310 nan 0.000 0.505 246 V N 3.116 123.056 119.914 0.042 0.000 2.295 246 V HA -0.179 3.940 4.120 -0.001 0.000 0.246 246 V C 2.589 178.763 176.094 0.133 0.000 1.049 246 V CA 2.247 64.560 62.300 0.023 0.000 1.024 246 V CB -1.296 30.441 31.823 -0.144 0.000 0.648 246 V HN 1.086 nan 8.190 nan 0.000 0.447 247 T N -2.739 111.859 114.554 0.074 0.000 3.163 247 T HA -0.055 4.294 4.350 -0.001 0.000 0.260 247 T C 1.549 176.288 174.700 0.064 0.000 1.156 247 T CA 0.826 62.938 62.100 0.019 0.000 1.072 247 T CB 0.124 68.857 68.868 -0.225 0.000 0.937 247 T HN 0.314 nan 8.240 nan 0.000 0.528 248 K N 1.718 122.169 120.400 0.087 0.000 2.290 248 K HA 0.107 4.427 4.320 -0.001 0.000 0.225 248 K C 2.635 179.273 176.600 0.064 0.000 1.060 248 K CA 1.289 57.609 56.287 0.056 0.000 0.903 248 K CB -0.506 32.012 32.500 0.030 0.000 1.158 248 K HN 0.394 nan 8.250 nan 0.000 0.460 249 S N 2.287 118.010 115.700 0.038 0.000 2.380 249 S HA -0.163 4.306 4.470 -0.001 0.000 0.229 249 S C 1.603 176.150 174.600 -0.088 0.000 1.050 249 S CA 1.370 59.562 58.200 -0.013 0.000 1.100 249 S CB -0.461 62.735 63.200 -0.007 0.000 0.984 249 S HN 0.254 nan 8.310 nan 0.000 0.434 250 K N 0.243 120.581 120.400 -0.103 0.000 2.525 250 K HA 0.246 4.566 4.320 -0.001 0.000 0.192 250 K C 0.886 177.083 176.600 -0.671 0.000 1.029 250 K CA 0.422 56.484 56.287 -0.374 0.000 1.029 250 K CB -0.264 31.994 32.500 -0.404 0.000 0.814 250 K HN 0.560 nan 8.250 nan 0.000 0.503 251 F N 0.288 120.139 119.950 -0.165 0.000 2.423 251 F HA 0.032 4.558 4.527 -0.001 0.000 0.269 251 F C 2.168 177.905 175.800 -0.106 0.000 0.880 251 F CA -0.057 57.915 58.000 -0.047 0.000 1.134 251 F CB -0.355 38.671 39.000 0.044 0.000 1.143 251 F HN -0.090 nan 8.300 nan 0.000 0.802 252 D N 1.060 121.507 120.400 0.080 0.000 2.157 252 D HA -0.223 4.416 4.640 -0.001 0.000 0.197 252 D C 1.503 177.709 176.300 -0.156 0.000 0.995 252 D CA 2.038 56.018 54.000 -0.033 0.000 0.860 252 D CB -0.655 40.160 40.800 0.025 0.000 1.016 252 D HN 0.261 nan 8.370 nan 0.000 0.452 253 N N 0.162 118.816 118.700 -0.077 0.000 2.132 253 N HA -0.209 4.530 4.740 -0.001 0.000 0.191 253 N C 1.924 177.307 175.510 -0.212 0.000 1.015 253 N CA 1.049 54.041 53.050 -0.095 0.000 0.864 253 N CB 0.030 38.468 38.487 -0.081 0.000 1.006 253 N HN 0.333 nan 8.380 nan 0.000 0.430 254 K N 0.081 120.279 120.400 -0.337 0.000 2.159 254 K HA -0.001 4.319 4.320 -0.001 0.000 0.210 254 K C 1.551 177.926 176.600 -0.375 0.000 1.026 254 K CA 0.404 56.418 56.287 -0.454 0.000 0.959 254 K CB 0.023 32.067 32.500 -0.760 0.000 0.890 254 K HN 0.010 nan 8.250 nan 0.000 0.459 255 Y N 0.386 120.596 120.300 -0.150 0.000 2.457 255 Y HA 0.101 4.650 4.550 -0.001 0.000 0.292 255 Y C 2.153 177.968 175.900 -0.142 0.000 1.125 255 Y CA 0.766 58.809 58.100 -0.094 0.000 1.254 255 Y CB -0.880 37.571 38.460 -0.016 0.000 1.012 255 Y HN 0.258 nan 8.280 nan 0.000 0.555 256 G N -0.298 108.367 108.800 -0.225 0.000 2.453 256 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.215 256 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.215 256 G C 1.767 176.346 174.900 -0.535 0.000 1.201 256 G CA 1.636 46.361 45.100 -0.625 0.000 0.784 256 G HN 0.310 nan 8.290 nan 0.000 0.545 257 T N 0.299 114.532 114.554 -0.534 0.000 2.737 257 T HA -0.158 4.192 4.350 -0.001 0.000 0.269 257 T C 2.280 176.988 174.700 0.013 0.000 1.040 257 T CA 1.420 63.481 62.100 -0.065 0.000 1.142 257 T CB -0.164 68.686 68.868 -0.030 0.000 0.861 257 T HN 0.332 nan 8.240 nan 0.000 0.456 258 R N -0.147 120.354 120.500 0.002 0.000 2.127 258 R HA -0.177 4.163 4.340 -0.001 0.000 0.238 258 R C 2.387 178.729 176.300 0.069 0.000 1.134 258 R CA 1.405 57.533 56.100 0.048 0.000 0.975 258 R CB -0.219 30.140 30.300 0.099 0.000 0.865 258 R HN 0.527 nan 8.270 nan 0.000 0.447 259 H N -0.651 118.431 119.070 0.021 0.000 2.329 259 H HA 0.014 4.569 4.556 -0.000 0.000 0.306 259 H C 1.886 177.250 175.328 0.060 0.000 1.062 259 H CA 1.815 57.889 56.048 0.043 0.000 1.364 259 H CB 0.059 29.851 29.762 0.050 0.000 1.409 259 H HN 0.338 nan 8.280 nan 0.000 0.519 260 S N 0.448 116.314 115.700 0.277 0.000 2.528 260 S HA -0.039 4.430 4.470 -0.001 0.000 0.219 260 S C 2.165 176.844 174.600 0.132 0.000 0.985 260 S CA 0.409 58.762 58.200 0.254 0.000 0.914 260 S CB -0.261 63.137 63.200 0.330 0.000 0.776 260 S HN 0.296 nan 8.310 nan 0.000 0.526 261 L N 1.665 122.945 121.223 0.094 0.000 2.017 261 L HA 0.019 4.358 4.340 -0.001 0.000 0.208 261 L C 2.132 179.018 176.870 0.027 0.000 1.073 261 L CA 1.642 56.513 54.840 0.051 0.000 0.745 261 L CB -0.587 41.491 42.059 0.031 0.000 0.894 261 L HN 0.221 nan 8.230 nan 0.000 0.432 262 I N -0.080 120.491 120.570 0.002 0.000 2.163 262 I HA -0.294 3.875 4.170 -0.001 0.000 0.243 262 I C 2.355 178.466 176.117 -0.010 0.000 1.085 262 I CA 1.573 62.861 61.300 -0.021 0.000 1.347 262 I CB -1.610 36.350 38.000 -0.067 0.000 1.044 262 I HN 0.380 nan 8.210 nan 0.000 0.408 263 D N 0.910 121.308 120.400 -0.003 0.000 2.123 263 D HA -0.143 4.497 4.640 -0.001 0.000 0.196 263 D C 2.248 178.569 176.300 0.035 0.000 0.992 263 D CA 1.611 55.627 54.000 0.026 0.000 0.833 263 D CB -0.255 40.592 40.800 0.080 0.000 0.954 263 D HN 0.348 nan 8.370 nan 0.000 0.455 264 G N 0.378 109.202 108.800 0.039 0.000 2.404 264 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.215 264 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.215 264 G C 1.917 176.832 174.900 0.025 0.000 1.174 264 G CA 0.623 45.743 45.100 0.034 0.000 0.780 264 G HN 0.357 nan 8.290 nan 0.000 0.537 265 I N 0.954 121.537 120.570 0.022 0.000 2.315 265 I HA -0.125 4.045 4.170 -0.001 0.000 0.248 265 I C 2.363 178.491 176.117 0.017 0.000 1.117 265 I CA 0.690 62.002 61.300 0.019 0.000 1.404 265 I CB -0.253 37.757 38.000 0.017 0.000 1.071 265 I HN 0.039 nan 8.210 nan 0.000 0.419 266 N N 1.095 119.803 118.700 0.014 0.000 2.223 266 N HA -0.119 4.621 4.740 -0.001 0.000 0.185 266 N C 1.914 177.433 175.510 0.015 0.000 1.016 266 N CA 1.189 54.246 53.050 0.012 0.000 0.863 266 N CB -0.174 38.316 38.487 0.007 0.000 0.983 266 N HN 0.381 nan 8.380 nan 0.000 0.429 267 R N -0.459 120.052 120.500 0.018 0.000 2.090 267 R HA 0.142 4.481 4.340 -0.001 0.000 0.219 267 R C 2.275 178.583 176.300 0.012 0.000 1.100 267 R CA 0.901 57.011 56.100 0.018 0.000 0.991 267 R CB -0.440 29.874 30.300 0.024 0.000 0.893 267 R HN 0.163 nan 8.270 nan 0.000 0.443 268 G N 0.872 109.679 108.800 0.011 0.000 2.421 268 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.216 268 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.216 268 G C 0.893 175.800 174.900 0.012 0.000 1.171 268 G CA 1.399 46.504 45.100 0.007 0.000 0.775 268 G HN 0.451 nan 8.290 nan 0.000 0.543 269 T N -3.400 111.165 114.554 0.018 0.000 2.762 269 T HA 0.586 4.936 4.350 -0.001 0.000 0.272 269 T C -1.009 173.704 174.700 0.021 0.000 0.982 269 T CA -0.617 61.498 62.100 0.024 0.000 1.013 269 T CB 2.291 71.178 68.868 0.032 0.000 1.309 269 T HN -0.144 nan 8.240 nan 0.000 0.572 270 D N 0.478 120.892 120.400 0.025 0.000 2.945 270 D HA 0.480 5.120 4.640 -0.001 0.000 0.366 270 D C -0.154 176.160 176.300 0.023 0.000 1.352 270 D CA -0.375 53.637 54.000 0.020 0.000 0.810 270 D CB 0.417 41.227 40.800 0.016 0.000 1.170 270 D HN 0.852 nan 8.370 nan 0.000 0.461 271 A N 0.814 123.651 122.820 0.028 0.000 2.409 271 A HA 0.383 4.702 4.320 -0.001 0.000 0.262 271 A C 0.302 177.898 177.584 0.021 0.000 1.113 271 A CA -0.462 51.592 52.037 0.029 0.000 0.790 271 A CB 0.333 19.355 19.000 0.037 0.000 1.046 271 A HN 0.366 nan 8.150 nan 0.000 0.496 272 L N 2.945 124.179 121.223 0.018 0.000 2.456 272 L HA 0.205 4.545 4.340 -0.001 0.000 0.272 272 L C 0.751 177.630 176.870 0.015 0.000 1.189 272 L CA 0.595 55.443 54.840 0.014 0.000 0.846 272 L CB 0.211 42.277 42.059 0.013 0.000 1.111 272 L HN 0.733 nan 8.230 nan 0.000 0.475 273 I N 2.800 123.378 120.570 0.013 0.000 2.810 273 I HA 0.164 4.333 4.170 -0.001 0.000 0.262 273 I C 1.384 177.511 176.117 0.016 0.000 1.131 273 I CA 0.442 61.750 61.300 0.013 0.000 1.453 273 I CB -0.440 37.565 38.000 0.009 0.000 1.161 273 I HN 0.841 nan 8.210 nan 0.000 0.444 274 G N 0.349 109.158 108.800 0.015 0.000 2.305 274 G HA2 0.302 4.261 3.960 -0.001 0.000 0.243 274 G HA3 0.302 4.261 3.960 -0.001 0.000 0.243 274 G C 1.086 175.996 174.900 0.018 0.000 1.288 274 G CA 0.438 45.549 45.100 0.018 0.000 0.901 274 G HN 0.632 nan 8.290 nan 0.000 0.516 275 G N 1.336 110.148 108.800 0.020 0.000 2.199 275 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.254 275 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.254 275 G C 0.568 175.479 174.900 0.019 0.000 0.982 275 G CA 0.629 45.740 45.100 0.019 0.000 0.632 275 G HN 0.748 nan 8.290 nan 0.000 0.529 276 K N 0.714 121.126 120.400 0.020 0.000 2.130 276 K HA 0.428 4.747 4.320 -0.001 0.000 0.268 276 K C 0.258 176.868 176.600 0.017 0.000 0.983 276 K CA -0.646 55.652 56.287 0.018 0.000 0.893 276 K CB 1.380 33.891 32.500 0.018 0.000 1.066 276 K HN 0.218 nan 8.250 nan 0.000 0.450 277 K N 1.674 122.083 120.400 0.015 0.000 2.338 277 K HA 0.171 4.491 4.320 -0.001 0.000 0.290 277 K C -0.497 176.104 176.600 0.002 0.000 1.069 277 K CA -0.207 56.086 56.287 0.010 0.000 0.941 277 K CB 0.566 33.072 32.500 0.010 0.000 1.023 277 K HN 0.195 nan 8.250 nan 0.000 0.477 278 V N 5.173 125.081 119.914 -0.010 0.000 2.417 278 V HA 0.238 4.358 4.120 -0.001 0.000 0.291 278 V C -0.651 175.413 176.094 -0.050 0.000 1.024 278 V CA -0.982 61.301 62.300 -0.027 0.000 0.861 278 V CB 1.401 33.203 31.823 -0.035 0.000 0.985 278 V HN 0.512 nan 8.190 nan 0.000 0.436 279 L N 6.806 128.001 121.223 -0.046 0.000 2.264 279 L HA 0.527 4.867 4.340 -0.001 0.000 0.287 279 L C -0.353 176.478 176.870 -0.065 0.000 1.039 279 L CA -0.058 54.745 54.840 -0.061 0.000 0.829 279 L CB 0.730 42.757 42.059 -0.053 0.000 1.211 279 L HN 0.394 nan 8.230 nan 0.000 0.427 280 I N 4.374 124.890 120.570 -0.089 0.000 2.352 280 I HA 0.155 4.325 4.170 -0.001 0.000 0.290 280 I C -0.093 175.996 176.117 -0.047 0.000 1.036 280 I CA -0.326 60.934 61.300 -0.067 0.000 1.336 280 I CB 0.385 38.336 38.000 -0.083 0.000 1.407 280 I HN 0.527 nan 8.210 nan 0.000 0.497 281 C N 5.134 124.416 119.300 -0.031 0.000 2.265 281 C HA 0.785 5.245 4.460 -0.001 0.000 0.332 281 C C 0.839 175.827 174.990 -0.003 0.000 1.248 281 C CA -0.488 58.515 59.018 -0.024 0.000 1.727 281 C CB -0.141 27.579 27.740 -0.034 0.000 2.348 281 C HN 1.114 nan 8.230 nan 0.000 0.519 282 G N 2.080 110.891 108.800 0.017 0.000 2.785 282 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.686 282 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.686 282 G C -1.169 173.797 174.900 0.109 0.000 1.155 282 G CA -0.570 44.554 45.100 0.040 0.000 0.760 282 G HN 0.968 nan 8.290 nan 0.000 0.624 283 Y N 2.454 122.728 120.300 -0.043 0.000 2.658 283 Y HA 0.519 5.068 4.550 -0.001 0.000 0.273 283 Y C 1.183 177.063 175.900 -0.034 0.000 0.992 283 Y CA 0.476 58.552 58.100 -0.039 0.000 1.105 283 Y CB 0.036 38.484 38.460 -0.020 0.000 1.188 283 Y HN 0.982 nan 8.280 nan 0.000 0.616 284 G N 0.072 108.813 108.800 -0.098 0.000 2.666 284 G HA2 0.023 3.983 3.960 -0.001 0.000 0.207 284 G HA3 0.023 3.983 3.960 -0.001 0.000 0.207 284 G C 0.617 175.369 174.900 -0.246 0.000 1.481 284 G CA 0.250 45.269 45.100 -0.135 0.000 1.071 284 G HN 0.248 nan 8.290 nan 0.000 0.572 285 D N -0.772 119.511 120.400 -0.196 0.000 2.097 285 D HA -0.112 4.528 4.640 -0.001 0.000 0.197 285 D C 2.793 178.959 176.300 -0.223 0.000 0.984 285 D CA 0.941 54.797 54.000 -0.239 0.000 0.826 285 D CB -0.354 40.328 40.800 -0.197 0.000 0.973 285 D HN 0.056 nan 8.370 nan 0.000 0.460 286 V N 1.601 121.428 119.914 -0.145 0.000 2.287 286 V HA -0.188 3.931 4.120 -0.001 0.000 0.248 286 V C 2.690 178.711 176.094 -0.121 0.000 1.053 286 V CA 2.129 64.368 62.300 -0.103 0.000 1.027 286 V CB -1.182 30.614 31.823 -0.045 0.000 0.646 286 V HN 0.234 nan 8.190 nan 0.000 0.447 287 G N -0.221 108.500 108.800 -0.130 0.000 2.442 287 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.219 287 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.219 287 G C 1.642 176.408 174.900 -0.224 0.000 1.141 287 G CA 0.923 45.960 45.100 -0.105 0.000 0.763 287 G HN 0.508 nan 8.290 nan 0.000 0.554 288 K N 0.147 120.250 120.400 -0.496 0.000 2.211 288 K HA 0.012 4.331 4.320 -0.001 0.000 0.203 288 K C 2.714 179.178 176.600 -0.227 0.000 1.050 288 K CA 0.714 56.653 56.287 -0.581 0.000 0.945 288 K CB -0.172 31.936 32.500 -0.654 0.000 0.732 288 K HN 0.285 nan 8.250 nan 0.000 0.451 289 G N 0.940 109.623 108.800 -0.194 0.000 2.394 289 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.215 289 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.215 289 G C 1.595 176.467 174.900 -0.047 0.000 1.165 289 G CA 0.572 45.606 45.100 -0.110 0.000 0.784 289 G HN 0.282 nan 8.290 nan 0.000 0.535 290 C N 1.067 120.334 119.300 -0.055 0.000 2.413 290 C HA 0.160 4.620 4.460 -0.001 0.000 0.277 290 C C 3.485 178.450 174.990 -0.042 0.000 1.265 290 C CA 0.909 59.907 59.018 -0.034 0.000 1.752 290 C CB -0.859 26.860 27.740 -0.035 0.000 1.998 290 C HN 0.542 nan 8.230 nan 0.000 0.489 291 A N -0.309 122.484 122.820 -0.046 0.000 1.970 291 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 291 A C 2.163 179.767 177.584 0.034 0.000 1.170 291 A CA 1.265 53.218 52.037 -0.139 0.000 0.645 291 A CB -0.520 18.334 19.000 -0.243 0.000 0.816 291 A HN 0.670 nan 8.150 nan 0.000 0.447 292 E N -0.127 120.138 120.200 0.109 0.000 2.158 292 E HA -0.028 4.321 4.350 -0.001 0.000 0.191 292 E C 2.158 178.817 176.600 0.097 0.000 0.982 292 E CA 0.692 57.185 56.400 0.154 0.000 0.823 292 E CB -0.126 29.657 29.700 0.138 0.000 0.766 292 E HN 0.540 nan 8.360 nan 0.000 0.468 293 A N 1.200 124.052 122.820 0.055 0.000 1.877 293 A HA -0.194 4.126 4.320 -0.001 0.000 0.216 293 A C 2.168 179.769 177.584 0.029 0.000 1.186 293 A CA 1.474 53.531 52.037 0.032 0.000 0.620 293 A CB -0.350 18.658 19.000 0.013 0.000 0.822 293 A HN 0.219 nan 8.150 nan 0.000 0.443 294 M N -0.501 119.112 119.600 0.021 0.000 2.123 294 M HA -0.088 4.391 4.480 -0.001 0.000 0.263 294 M C 2.225 178.556 176.300 0.051 0.000 1.069 294 M CA 1.893 57.203 55.300 0.017 0.000 1.133 294 M CB -1.034 31.556 32.600 -0.017 0.000 1.356 294 M HN 0.585 nan 8.290 nan 0.000 0.415 295 K N 0.478 120.938 120.400 0.100 0.000 2.103 295 K HA -0.129 4.190 4.320 -0.001 0.000 0.207 295 K C 1.819 178.481 176.600 0.104 0.000 1.048 295 K CA 1.687 58.071 56.287 0.162 0.000 0.930 295 K CB -0.366 32.328 32.500 0.324 0.000 0.716 295 K HN 0.384 nan 8.250 nan 0.000 0.444 296 G N 0.184 109.034 108.800 0.084 0.000 2.625 296 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.214 296 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.214 296 G C 1.105 176.026 174.900 0.035 0.000 1.132 296 G CA 0.064 45.196 45.100 0.054 0.000 0.782 296 G HN 0.329 nan 8.290 nan 0.000 0.538 297 Q N -0.508 119.312 119.800 0.033 0.000 2.219 297 Q HA 0.219 4.559 4.340 -0.001 0.000 0.209 297 Q C 1.431 177.446 176.000 0.025 0.000 0.854 297 Q CA 0.473 56.288 55.803 0.021 0.000 0.960 297 Q CB 1.070 29.815 28.738 0.012 0.000 1.116 297 Q HN 0.497 nan 8.270 nan 0.000 0.500 298 G N 0.746 109.568 108.800 0.036 0.000 2.144 298 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.218 298 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.218 298 G C 0.289 175.213 174.900 0.040 0.000 0.988 298 G CA 0.039 45.160 45.100 0.035 0.000 0.659 298 G HN 0.493 nan 8.290 nan 0.000 0.522 299 A N 0.013 122.861 122.820 0.046 0.000 2.351 299 A HA 0.749 5.069 4.320 -0.001 0.000 0.257 299 A C 0.708 178.331 177.584 0.064 0.000 1.087 299 A CA -0.119 51.944 52.037 0.042 0.000 0.798 299 A CB 0.338 19.355 19.000 0.028 0.000 1.033 299 A HN 0.474 nan 8.150 nan 0.000 0.488 300 R N 1.175 121.707 120.500 0.053 0.000 2.205 300 R HA 0.413 4.753 4.340 -0.001 0.000 0.342 300 R C -1.054 175.283 176.300 0.061 0.000 1.058 300 R CA -0.309 55.833 56.100 0.071 0.000 0.904 300 R CB 0.855 31.184 30.300 0.047 0.000 1.089 300 R HN 0.450 nan 8.270 nan 0.000 0.471 301 V N 2.157 122.133 119.914 0.103 0.000 2.539 301 V HA 0.363 4.482 4.120 -0.001 0.000 0.292 301 V C 0.201 176.312 176.094 0.027 0.000 1.045 301 V CA -0.394 61.890 62.300 -0.027 0.000 0.945 301 V CB 1.860 33.480 31.823 -0.338 0.000 0.993 301 V HN 0.733 nan 8.190 nan 0.000 0.464 302 S N 2.060 117.717 115.700 -0.071 0.000 2.599 302 S HA 0.827 5.297 4.470 -0.001 0.000 0.287 302 S C -0.780 173.743 174.600 -0.128 0.000 1.105 302 S CA -0.605 57.567 58.200 -0.047 0.000 0.899 302 S CB 2.198 65.385 63.200 -0.022 0.000 1.100 302 S HN 0.449 nan 8.310 nan 0.000 0.482 303 V N 1.528 121.376 119.914 -0.110 0.000 3.001 303 V HA 0.799 4.918 4.120 -0.001 0.000 0.314 303 V C -0.091 175.956 176.094 -0.078 0.000 1.099 303 V CA -0.792 61.432 62.300 -0.128 0.000 0.989 303 V CB 2.242 33.933 31.823 -0.220 0.000 1.040 303 V HN 1.041 nan 8.190 nan 0.000 0.434 304 T N 0.071 114.591 114.554 -0.058 0.000 2.863 304 T HA 0.857 5.207 4.350 -0.001 0.000 0.285 304 T C -0.954 173.734 174.700 -0.020 0.000 1.009 304 T CA -0.556 61.518 62.100 -0.043 0.000 0.989 304 T CB 2.144 70.981 68.868 -0.051 0.000 1.004 304 T HN 0.739 nan 8.240 nan 0.000 0.455 305 E N 1.636 121.826 120.200 -0.015 0.000 2.372 305 E HA 0.445 4.795 4.350 -0.001 0.000 0.279 305 E C 0.085 176.685 176.600 -0.001 0.000 0.946 305 E CA -0.712 55.690 56.400 0.004 0.000 0.769 305 E CB 1.401 31.112 29.700 0.019 0.000 1.230 305 E HN 0.740 nan 8.360 nan 0.000 0.442 306 I N -1.164 119.408 120.570 0.003 0.000 3.462 306 I HA 0.446 4.616 4.170 -0.001 0.000 0.290 306 I C 0.558 176.677 176.117 0.004 0.000 1.236 306 I CA 0.014 61.313 61.300 -0.000 0.000 1.418 306 I CB 0.373 38.371 38.000 -0.003 0.000 1.102 306 I HN 0.227 nan 8.210 nan 0.000 0.441 307 D N 3.003 123.411 120.400 0.013 0.000 2.274 307 D HA 0.220 4.860 4.640 -0.001 0.000 0.239 307 D C -1.606 174.704 176.300 0.017 0.000 1.104 307 D CA -2.241 51.769 54.000 0.016 0.000 0.840 307 D CB 2.019 42.833 40.800 0.023 0.000 1.100 307 D HN -0.002 nan 8.370 nan 0.000 0.477 308 P HA -0.065 nan 4.420 nan 0.000 0.222 308 P C 1.710 179.019 177.300 0.016 0.000 1.147 308 P CA 0.633 63.738 63.100 0.008 0.000 0.790 308 P CB 0.744 32.446 31.700 0.003 0.000 0.780 309 I N 0.250 120.833 120.570 0.022 0.000 2.188 309 I HA -0.168 4.002 4.170 -0.001 0.000 0.237 309 I C 2.421 178.571 176.117 0.055 0.000 1.073 309 I CA 1.030 62.348 61.300 0.030 0.000 1.359 309 I CB -0.877 37.137 38.000 0.024 0.000 1.083 309 I HN -0.095 nan 8.210 nan 0.000 0.412 310 N N 1.378 120.124 118.700 0.076 0.000 2.091 310 N HA -0.243 4.497 4.740 -0.001 0.000 0.193 310 N C 1.863 177.460 175.510 0.146 0.000 1.021 310 N CA 1.811 54.954 53.050 0.155 0.000 0.862 310 N CB -0.289 38.291 38.487 0.155 0.000 1.018 310 N HN 0.394 nan 8.380 nan 0.000 0.429 311 A N 1.295 124.151 122.820 0.060 0.000 1.930 311 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 311 A C 2.248 179.821 177.584 -0.018 0.000 1.175 311 A CA 0.865 52.901 52.037 -0.001 0.000 0.627 311 A CB -0.552 18.444 19.000 -0.006 0.000 0.815 311 A HN 0.195 nan 8.150 nan 0.000 0.443 312 L N -0.190 121.037 121.223 0.007 0.000 2.093 312 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 312 L C 2.469 179.345 176.870 0.009 0.000 1.085 312 L CA 2.000 56.840 54.840 -0.000 0.000 0.755 312 L CB -0.721 41.342 42.059 0.006 0.000 0.904 312 L HN 0.488 nan 8.230 nan 0.000 0.435 313 Q N -0.639 119.195 119.800 0.057 0.000 2.045 313 Q HA -0.285 4.054 4.340 -0.001 0.000 0.206 313 Q C 2.261 178.308 176.000 0.078 0.000 0.991 313 Q CA 2.035 57.906 55.803 0.114 0.000 0.851 313 Q CB -0.490 28.385 28.738 0.228 0.000 0.911 313 Q HN 0.687 nan 8.270 nan 0.000 0.418 314 A N 0.994 123.749 122.820 -0.109 0.000 1.903 314 A HA -0.256 4.064 4.320 -0.001 0.000 0.219 314 A C 2.071 179.558 177.584 -0.161 0.000 1.191 314 A CA 2.013 53.780 52.037 -0.450 0.000 0.638 314 A CB -0.659 17.892 19.000 -0.749 0.000 0.823 314 A HN 0.354 nan 8.150 nan 0.000 0.451 315 M N -1.417 118.115 119.600 -0.113 0.000 2.229 315 M HA -0.071 4.408 4.480 -0.001 0.000 0.264 315 M C 1.830 178.063 176.300 -0.112 0.000 1.063 315 M CA 1.039 56.283 55.300 -0.094 0.000 1.114 315 M CB -0.412 32.152 32.600 -0.060 0.000 1.387 315 M HN 0.322 nan 8.290 nan 0.000 0.420 316 M N -0.077 119.475 119.600 -0.080 0.000 2.630 316 M HA -0.048 4.431 4.480 -0.001 0.000 0.254 316 M C 0.868 177.105 176.300 -0.105 0.000 1.092 316 M CA 1.108 56.366 55.300 -0.069 0.000 1.087 316 M CB -0.614 31.972 32.600 -0.024 0.000 1.453 316 M HN 0.216 nan 8.290 nan 0.000 0.509 317 E N -0.407 119.686 120.200 -0.178 0.000 2.526 317 E HA 0.298 4.648 4.350 -0.001 0.000 0.208 317 E C 0.890 177.087 176.600 -0.671 0.000 0.997 317 E CA 0.293 56.523 56.400 -0.284 0.000 0.961 317 E CB 0.700 30.332 29.700 -0.114 0.000 1.030 317 E HN 0.531 nan 8.360 nan 0.000 0.483 318 G N 1.602 110.054 108.800 -0.580 0.000 2.167 318 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.194 318 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.194 318 G C -0.427 174.100 174.900 -0.620 0.000 1.027 318 G CA -0.497 44.279 45.100 -0.539 0.000 0.717 318 G HN 0.079 nan 8.290 nan 0.000 0.501 319 F N 0.634 120.530 119.950 -0.089 0.000 2.520 319 F HA 0.558 5.085 4.527 -0.001 0.000 0.322 319 F C 0.231 175.967 175.800 -0.107 0.000 1.103 319 F CA -1.915 56.023 58.000 -0.104 0.000 0.926 319 F CB 1.331 40.236 39.000 -0.159 0.000 1.154 319 F HN -0.123 nan 8.300 nan 0.000 0.453 320 D N 1.407 121.870 120.400 0.105 0.000 2.443 320 D HA 0.250 4.890 4.640 -0.001 0.000 0.239 320 D C -0.509 175.796 176.300 0.009 0.000 1.136 320 D CA 0.345 54.365 54.000 0.032 0.000 0.879 320 D CB 1.300 42.114 40.800 0.024 0.000 1.195 320 D HN 0.139 nan 8.370 nan 0.000 0.443 321 V N 3.406 123.309 119.914 -0.017 0.000 2.334 321 V HA 0.361 4.480 4.120 -0.001 0.000 0.281 321 V C 0.138 176.215 176.094 -0.029 0.000 1.016 321 V CA -0.523 61.756 62.300 -0.036 0.000 0.832 321 V CB 1.244 33.039 31.823 -0.046 0.000 0.999 321 V HN 0.403 nan 8.190 nan 0.000 0.439 322 V N 2.189 122.083 119.914 -0.034 0.000 3.102 322 V HA 0.854 4.974 4.120 -0.001 0.000 0.312 322 V C 0.068 176.138 176.094 -0.041 0.000 1.135 322 V CA -0.663 61.618 62.300 -0.032 0.000 1.022 322 V CB 2.062 33.868 31.823 -0.029 0.000 1.056 322 V HN 0.749 nan 8.190 nan 0.000 0.436 323 T N -1.014 113.517 114.554 -0.040 0.000 2.902 323 T HA 0.519 4.869 4.350 -0.001 0.000 0.280 323 T C 1.080 175.732 174.700 -0.080 0.000 0.992 323 T CA 0.012 62.081 62.100 -0.051 0.000 1.015 323 T CB 1.506 70.353 68.868 -0.035 0.000 1.044 323 T HN 0.672 nan 8.240 nan 0.000 0.520 324 V N 1.520 121.355 119.914 -0.132 0.000 2.255 324 V HA -0.167 3.953 4.120 -0.001 0.000 0.247 324 V C 2.715 178.699 176.094 -0.183 0.000 1.051 324 V CA 2.182 64.347 62.300 -0.225 0.000 1.018 324 V CB -1.233 30.320 31.823 -0.449 0.000 0.641 324 V HN 0.937 nan 8.190 nan 0.000 0.445 325 E N 0.842 120.969 120.200 -0.123 0.000 2.149 325 E HA -0.318 4.032 4.350 -0.001 0.000 0.215 325 E C 2.070 178.663 176.600 -0.011 0.000 1.055 325 E CA 2.368 58.767 56.400 -0.001 0.000 0.870 325 E CB -0.394 29.328 29.700 0.037 0.000 0.764 325 E HN 0.928 nan 8.360 nan 0.000 0.463 326 E N -0.830 119.355 120.200 -0.024 0.000 2.371 326 E HA 0.112 4.461 4.350 -0.001 0.000 0.194 326 E C 1.455 178.042 176.600 -0.022 0.000 1.012 326 E CA 0.911 57.300 56.400 -0.018 0.000 0.860 326 E CB 0.239 29.930 29.700 -0.015 0.000 0.811 326 E HN 0.237 nan 8.360 nan 0.000 0.502 327 A N 0.393 123.191 122.820 -0.036 0.000 2.419 327 A HA 0.243 4.563 4.320 -0.001 0.000 0.233 327 A C 1.800 179.364 177.584 -0.033 0.000 1.217 327 A CA -0.342 51.676 52.037 -0.032 0.000 0.944 327 A CB 0.022 18.999 19.000 -0.037 0.000 1.025 327 A HN 0.186 nan 8.150 nan 0.000 0.524 328 I N 0.886 121.429 120.570 -0.044 0.000 2.286 328 I HA -0.132 4.038 4.170 -0.001 0.000 0.248 328 I C 2.211 178.322 176.117 -0.009 0.000 1.115 328 I CA 1.766 63.044 61.300 -0.037 0.000 1.392 328 I CB -0.460 37.511 38.000 -0.047 0.000 1.065 328 I HN 0.238 nan 8.210 nan 0.000 0.418 329 G N -0.742 108.057 108.800 -0.003 0.000 2.471 329 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.219 329 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.219 329 G C 1.312 176.217 174.900 0.008 0.000 1.125 329 G CA 0.829 45.932 45.100 0.005 0.000 0.775 329 G HN 0.404 nan 8.290 nan 0.000 0.548 330 D N 0.349 120.751 120.400 0.003 0.000 2.366 330 D HA 0.195 4.835 4.640 -0.001 0.000 0.205 330 D C 1.501 177.806 176.300 0.008 0.000 1.022 330 D CA 0.146 54.150 54.000 0.006 0.000 0.868 330 D CB 0.422 41.224 40.800 0.003 0.000 0.953 330 D HN 0.254 nan 8.370 nan 0.000 0.514 331 A N 1.388 124.210 122.820 0.004 0.000 2.488 331 A HA 0.027 4.346 4.320 -0.001 0.000 0.249 331 A C 0.893 178.487 177.584 0.017 0.000 1.083 331 A CA 0.065 52.104 52.037 0.004 0.000 0.768 331 A CB 0.489 19.485 19.000 -0.007 0.000 1.017 331 A HN -0.089 nan 8.150 nan 0.000 0.496 332 D N 1.267 121.677 120.400 0.018 0.000 2.213 332 D HA 0.118 4.758 4.640 -0.001 0.000 0.205 332 D C 0.251 176.569 176.300 0.030 0.000 0.961 332 D CA 1.399 55.417 54.000 0.029 0.000 0.853 332 D CB 0.209 41.026 40.800 0.027 0.000 0.967 332 D HN 0.590 nan 8.370 nan 0.000 0.496 333 I N 0.632 121.213 120.570 0.018 0.000 2.619 333 I HA 0.220 4.389 4.170 -0.001 0.000 0.292 333 I C -0.987 175.132 176.117 0.003 0.000 1.100 333 I CA -0.816 60.494 61.300 0.016 0.000 1.043 333 I CB 3.263 41.271 38.000 0.013 0.000 1.239 333 I HN -0.418 nan 8.210 nan 0.000 0.420 334 V N 6.413 126.330 119.914 0.006 0.000 2.444 334 V HA 0.482 4.602 4.120 -0.001 0.000 0.294 334 V C -0.418 175.675 176.094 -0.001 0.000 1.022 334 V CA -0.633 61.664 62.300 -0.005 0.000 0.850 334 V CB 2.193 34.014 31.823 -0.004 0.000 0.992 334 V HN 0.415 nan 8.190 nan 0.000 0.426 335 V N 4.022 123.929 119.914 -0.011 0.000 2.487 335 V HA 0.549 4.669 4.120 -0.001 0.000 0.298 335 V C 0.181 176.271 176.094 -0.005 0.000 1.028 335 V CA -0.516 61.783 62.300 -0.003 0.000 0.860 335 V CB 2.373 34.192 31.823 -0.008 0.000 0.991 335 V HN 0.980 nan 8.190 nan 0.000 0.427 336 T N 1.507 116.065 114.554 0.008 0.000 2.767 336 T HA 0.753 5.103 4.350 -0.001 0.000 0.284 336 T C 0.147 174.852 174.700 0.009 0.000 0.973 336 T CA -0.024 62.080 62.100 0.007 0.000 0.996 336 T CB 1.740 70.620 68.868 0.021 0.000 0.927 336 T HN 0.995 nan 8.240 nan 0.000 0.456 337 A N 2.516 125.333 122.820 -0.005 0.000 2.573 337 A HA 0.416 4.736 4.320 -0.001 0.000 0.269 337 A C 1.473 179.038 177.584 -0.031 0.000 0.901 337 A CA 0.124 52.154 52.037 -0.013 0.000 1.066 337 A CB -0.249 18.742 19.000 -0.015 0.000 1.221 337 A HN 0.982 nan 8.150 nan 0.000 0.483 338 T N -4.212 110.315 114.554 -0.044 0.000 3.044 338 T HA 0.339 4.689 4.350 -0.001 0.000 0.255 338 T C 1.624 176.246 174.700 -0.130 0.000 1.073 338 T CA 1.233 63.291 62.100 -0.069 0.000 1.125 338 T CB -0.170 68.662 68.868 -0.059 0.000 0.908 338 T HN 1.796 nan 8.240 nan 0.000 0.480 339 G N 1.536 110.208 108.800 -0.213 0.000 2.203 339 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.263 339 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.263 339 G C -0.090 174.476 174.900 -0.556 0.000 1.012 339 G CA 0.387 45.237 45.100 -0.416 0.000 0.749 339 G HN 0.895 nan 8.290 nan 0.000 0.512 340 N N -0.438 118.016 118.700 -0.409 0.000 2.312 340 N HA 0.652 5.392 4.740 -0.001 0.000 0.296 340 N C 0.140 175.594 175.510 -0.094 0.000 1.193 340 N CA -0.650 52.268 53.050 -0.220 0.000 0.773 340 N CB 1.084 39.511 38.487 -0.100 0.000 1.435 340 N HN 0.445 nan 8.380 nan 0.000 0.484 341 K N 0.002 120.418 120.400 0.027 0.000 2.209 341 K HA 0.523 4.843 4.320 -0.001 0.000 0.238 341 K C -0.920 175.712 176.600 0.053 0.000 1.028 341 K CA -0.597 55.754 56.287 0.106 0.000 0.935 341 K CB 0.496 33.068 32.500 0.120 0.000 1.162 341 K HN 0.413 nan 8.250 nan 0.000 0.485 342 D N -0.230 120.205 120.400 0.058 0.000 2.716 342 D HA -0.134 4.506 4.640 -0.001 0.000 0.239 342 D C 0.276 176.613 176.300 0.062 0.000 1.125 342 D CA 0.545 54.573 54.000 0.047 0.000 0.681 342 D CB -0.912 39.905 40.800 0.028 0.000 1.070 342 D HN 0.534 nan 8.370 nan 0.000 0.432 343 I N -0.994 119.615 120.570 0.064 0.000 2.810 343 I HA 0.017 4.187 4.170 -0.001 0.000 0.262 343 I C 1.071 177.236 176.117 0.079 0.000 1.131 343 I CA 0.662 61.992 61.300 0.049 0.000 1.453 343 I CB 0.134 38.145 38.000 0.019 0.000 1.161 343 I HN 0.061 nan 8.210 nan 0.000 0.444 344 I N 3.159 123.796 120.570 0.112 0.000 2.420 344 I HA 0.303 4.473 4.170 -0.001 0.000 0.282 344 I C -0.124 176.110 176.117 0.196 0.000 1.019 344 I CA -0.314 61.098 61.300 0.187 0.000 1.130 344 I CB 1.405 39.448 38.000 0.071 0.000 1.262 344 I HN -0.016 nan 8.210 nan 0.000 0.454 345 M N 4.513 124.284 119.600 0.285 0.000 2.371 345 M HA 0.266 4.746 4.480 -0.001 0.000 0.301 345 M C 1.245 177.500 176.300 -0.076 0.000 1.173 345 M CA -0.785 54.502 55.300 -0.021 0.000 1.020 345 M CB 0.929 33.414 32.600 -0.192 0.000 1.490 345 M HN 0.421 nan 8.290 nan 0.000 0.485 346 L N 1.446 122.614 121.223 -0.092 0.000 2.042 346 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 346 L C 2.135 178.927 176.870 -0.131 0.000 1.076 346 L CA 2.036 56.832 54.840 -0.073 0.000 0.749 346 L CB -0.739 41.293 42.059 -0.045 0.000 0.893 346 L HN 0.850 nan 8.230 nan 0.000 0.432 347 E N -1.272 118.806 120.200 -0.205 0.000 2.130 347 E HA -0.310 4.040 4.350 -0.001 0.000 0.196 347 E C 1.996 178.489 176.600 -0.179 0.000 0.998 347 E CA 1.951 58.211 56.400 -0.233 0.000 0.806 347 E CB -0.180 29.341 29.700 -0.298 0.000 0.738 347 E HN 0.771 nan 8.360 nan 0.000 0.459 348 H N -0.637 118.395 119.070 -0.064 0.000 2.395 348 H HA -0.002 4.553 4.556 -0.001 0.000 0.299 348 H C 2.180 177.473 175.328 -0.060 0.000 1.070 348 H CA 1.011 57.026 56.048 -0.054 0.000 1.356 348 H CB 0.137 29.878 29.762 -0.034 0.000 1.401 348 H HN 0.163 nan 8.280 nan 0.000 0.524 349 I N 1.046 121.650 120.570 0.056 0.000 2.226 349 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 349 I C 1.979 178.048 176.117 -0.081 0.000 1.100 349 I CA 1.325 62.646 61.300 0.036 0.000 1.374 349 I CB -0.095 37.951 38.000 0.077 0.000 1.057 349 I HN 0.170 nan 8.210 nan 0.000 0.413 350 K N 0.625 120.863 120.400 -0.270 0.000 2.280 350 K HA -0.079 4.241 4.320 -0.001 0.000 0.202 350 K C 1.922 178.363 176.600 -0.266 0.000 1.047 350 K CA 1.200 57.168 56.287 -0.532 0.000 0.942 350 K CB -0.118 32.053 32.500 -0.547 0.000 0.739 350 K HN 0.322 nan 8.250 nan 0.000 0.457 351 A N 0.610 123.359 122.820 -0.119 0.000 2.218 351 A HA 0.097 4.417 4.320 -0.001 0.000 0.209 351 A C 0.839 178.412 177.584 -0.019 0.000 1.168 351 A CA 0.061 52.068 52.037 -0.051 0.000 0.804 351 A CB -0.132 18.868 19.000 0.000 0.000 0.834 351 A HN 0.136 nan 8.150 nan 0.000 0.482 352 M N 1.450 121.046 119.600 -0.007 0.000 2.238 352 M HA 0.153 4.632 4.480 -0.001 0.000 0.347 352 M C 0.492 176.819 176.300 0.045 0.000 1.173 352 M CA -0.135 55.182 55.300 0.028 0.000 1.147 352 M CB 0.821 33.452 32.600 0.051 0.000 1.547 352 M HN 0.381 nan 8.290 nan 0.000 0.455 353 K N 1.042 121.472 120.400 0.050 0.000 2.336 353 K HA 0.078 4.398 4.320 -0.001 0.000 0.262 353 K C -0.450 176.210 176.600 0.100 0.000 0.992 353 K CA -0.644 55.681 56.287 0.062 0.000 0.927 353 K CB 0.326 32.858 32.500 0.053 0.000 0.956 353 K HN 0.439 nan 8.250 nan 0.000 0.495 354 D N 0.893 121.364 120.400 0.118 0.000 2.434 354 D HA -0.062 4.578 4.640 -0.001 0.000 0.252 354 D C -0.274 176.188 176.300 0.271 0.000 1.185 354 D CA 0.782 54.894 54.000 0.187 0.000 0.886 354 D CB -0.083 40.825 40.800 0.179 0.000 1.148 354 D HN 0.777 nan 8.370 nan 0.000 0.483 355 H N 0.412 119.528 119.070 0.078 0.000 3.022 355 H HA -0.173 4.383 4.556 0.000 0.000 0.258 355 H C -0.051 175.313 175.328 0.060 0.000 1.212 355 H CA 0.498 56.587 56.048 0.067 0.000 1.126 355 H CB -1.460 28.332 29.762 0.049 0.000 1.267 355 H HN 0.507 nan 8.280 nan 0.000 0.345 356 A N 0.708 123.604 122.820 0.127 0.000 2.296 356 A HA 0.587 4.906 4.320 -0.001 0.000 0.264 356 A C 0.622 178.249 177.584 0.071 0.000 1.097 356 A CA -0.127 51.964 52.037 0.090 0.000 0.811 356 A CB 0.665 19.709 19.000 0.072 0.000 1.072 356 A HN 0.273 nan 8.150 nan 0.000 0.495 357 I N 0.268 120.873 120.570 0.059 0.000 2.378 357 I HA 0.350 4.520 4.170 -0.001 0.000 0.291 357 I C -0.887 175.258 176.117 0.047 0.000 0.992 357 I CA -0.426 60.906 61.300 0.053 0.000 1.154 357 I CB 1.694 39.722 38.000 0.046 0.000 1.315 357 I HN 0.493 nan 8.210 nan 0.000 0.448 358 L N 6.574 127.829 121.223 0.053 0.000 2.341 358 L HA 0.932 5.272 4.340 -0.001 0.000 0.278 358 L C -0.290 176.609 176.870 0.048 0.000 1.005 358 L CA 0.018 54.886 54.840 0.046 0.000 0.818 358 L CB 1.544 43.632 42.059 0.049 0.000 1.259 358 L HN 0.615 nan 8.230 nan 0.000 0.418 359 G N 2.735 111.559 108.800 0.040 0.000 2.704 359 G HA2 0.432 4.391 3.960 -0.001 0.000 0.293 359 G HA3 0.432 4.391 3.960 -0.001 0.000 0.293 359 G C -2.063 172.863 174.900 0.042 0.000 1.421 359 G CA -0.725 44.403 45.100 0.045 0.000 0.870 359 G HN 0.692 nan 8.290 nan 0.000 0.492 360 N N -0.071 118.661 118.700 0.053 0.000 2.284 360 N HA 0.549 5.288 4.740 -0.001 0.000 0.300 360 N C -0.182 175.358 175.510 0.051 0.000 1.047 360 N CA -0.842 52.240 53.050 0.054 0.000 0.821 360 N CB 2.048 40.579 38.487 0.073 0.000 1.337 360 N HN 0.353 nan 8.380 nan 0.000 0.482 361 I N 1.633 122.227 120.570 0.040 0.000 4.338 361 I HA 0.423 4.592 4.170 -0.001 0.000 0.329 361 I C 1.138 177.270 176.117 0.026 0.000 1.378 361 I CA -0.232 61.087 61.300 0.031 0.000 1.170 361 I CB 0.125 38.144 38.000 0.030 0.000 1.206 361 I HN 0.694 nan 8.210 nan 0.000 0.432 362 G N 0.859 109.681 108.800 0.036 0.000 2.561 362 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.208 362 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.208 362 G C 0.098 175.037 174.900 0.065 0.000 1.510 362 G CA 0.558 45.678 45.100 0.033 0.000 0.941 362 G HN 0.591 nan 8.290 nan 0.000 0.478 363 H N -3.232 115.789 119.070 -0.081 0.000 2.851 363 H HA 0.526 5.082 4.556 -0.001 0.000 0.372 363 H C 0.325 175.596 175.328 -0.096 0.000 1.158 363 H CA -0.951 54.967 56.048 -0.217 0.000 1.159 363 H CB 1.563 31.182 29.762 -0.237 0.000 1.757 363 H HN 0.295 nan 8.280 nan 0.000 0.546 364 F N 0.625 120.442 119.950 -0.221 0.000 2.944 364 F HA -0.480 4.047 4.527 -0.001 0.000 0.240 364 F C 1.384 177.087 175.800 -0.161 0.000 1.478 364 F CA 2.172 59.994 58.000 -0.297 0.000 1.867 364 F CB -0.746 37.949 39.000 -0.509 0.000 0.505 364 F HN 0.925 nan 8.300 nan 0.000 0.300 365 D N -1.103 119.340 120.400 0.071 0.000 2.640 365 D HA 0.104 4.744 4.640 -0.001 0.000 0.282 365 D C 0.025 176.361 176.300 0.060 0.000 1.558 365 D CA 0.605 54.642 54.000 0.062 0.000 0.820 365 D CB -1.004 39.822 40.800 0.044 0.000 1.243 365 D HN 0.570 nan 8.370 nan 0.000 0.456 366 N N 0.407 119.155 118.700 0.080 0.000 2.171 366 N HA 0.007 4.746 4.740 -0.001 0.000 0.212 366 N C 0.953 176.556 175.510 0.155 0.000 1.184 366 N CA -0.106 53.001 53.050 0.094 0.000 0.888 366 N CB 0.129 38.651 38.487 0.059 0.000 1.038 366 N HN 0.086 nan 8.380 nan 0.000 0.517 367 E N 0.660 120.984 120.200 0.207 0.000 2.077 367 E HA -0.001 4.349 4.350 -0.001 0.000 0.193 367 E C 0.213 176.867 176.600 0.089 0.000 0.989 367 E CA 0.788 57.277 56.400 0.147 0.000 0.800 367 E CB 0.225 30.010 29.700 0.141 0.000 0.746 367 E HN 0.460 nan 8.360 nan 0.000 0.452 368 I N 2.121 122.738 120.570 0.078 0.000 2.353 368 I HA 0.045 4.215 4.170 -0.001 0.000 0.293 368 I C 0.215 176.349 176.117 0.028 0.000 0.992 368 I CA -0.577 60.751 61.300 0.047 0.000 1.268 368 I CB 0.955 38.975 38.000 0.032 0.000 1.387 368 I HN -0.196 nan 8.210 nan 0.000 0.478 369 D N 6.671 127.078 120.400 0.012 0.000 2.662 369 D HA 0.010 4.649 4.640 -0.001 0.000 0.228 369 D C 1.072 177.340 176.300 -0.052 0.000 1.090 369 D CA 0.160 54.152 54.000 -0.013 0.000 1.118 369 D CB 0.481 41.270 40.800 -0.018 0.000 1.129 369 D HN 0.334 nan 8.370 nan 0.000 0.472 370 M N 0.876 120.450 119.600 -0.043 0.000 2.319 370 M HA -0.018 4.462 4.480 -0.001 0.000 0.265 370 M C 1.963 178.221 176.300 -0.070 0.000 1.068 370 M CA 0.514 55.769 55.300 -0.075 0.000 1.118 370 M CB -0.998 31.595 32.600 -0.012 0.000 1.395 370 M HN 0.376 nan 8.290 nan 0.000 0.435 371 A N 0.278 123.079 122.820 -0.033 0.000 1.855 371 A HA 0.013 4.333 4.320 -0.001 0.000 0.215 371 A C 2.420 179.984 177.584 -0.034 0.000 1.191 371 A CA 1.950 53.976 52.037 -0.018 0.000 0.613 371 A CB -1.490 17.508 19.000 -0.004 0.000 0.829 371 A HN 0.462 nan 8.150 nan 0.000 0.442 372 G N -0.085 108.690 108.800 -0.042 0.000 2.446 372 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.217 372 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.217 372 G C 1.493 176.353 174.900 -0.068 0.000 1.168 372 G CA 1.349 46.424 45.100 -0.042 0.000 0.771 372 G HN 0.478 nan 8.290 nan 0.000 0.551 373 L N 0.910 122.047 121.223 -0.143 0.000 2.013 373 L HA -0.076 4.264 4.340 -0.001 0.000 0.212 373 L C 2.623 179.287 176.870 -0.344 0.000 1.073 373 L CA 2.351 57.015 54.840 -0.293 0.000 0.753 373 L CB -0.896 40.833 42.059 -0.550 0.000 0.890 373 L HN 0.432 nan 8.230 nan 0.000 0.432 374 E N -1.079 118.968 120.200 -0.255 0.000 2.152 374 E HA -0.158 4.192 4.350 -0.001 0.000 0.192 374 E C 2.224 178.860 176.600 0.060 0.000 0.983 374 E CA 0.759 57.136 56.400 -0.039 0.000 0.818 374 E CB -0.076 29.669 29.700 0.075 0.000 0.758 374 E HN 0.468 nan 8.360 nan 0.000 0.467 375 R N 0.517 121.028 120.500 0.018 0.000 2.240 375 R HA -0.020 4.319 4.340 -0.001 0.000 0.203 375 R C 2.512 178.839 176.300 0.046 0.000 1.011 375 R CA 0.978 57.101 56.100 0.038 0.000 1.007 375 R CB 0.025 30.338 30.300 0.022 0.000 0.911 375 R HN 0.131 nan 8.270 nan 0.000 0.468 376 S N -0.806 114.919 115.700 0.042 0.000 2.399 376 S HA -0.054 4.416 4.470 -0.001 0.000 0.231 376 S C 1.585 176.244 174.600 0.098 0.000 1.022 376 S CA 1.169 59.415 58.200 0.076 0.000 0.983 376 S CB 0.086 63.360 63.200 0.123 0.000 0.803 376 S HN 0.480 nan 8.310 nan 0.000 0.480 377 G N 0.488 109.345 108.800 0.095 0.000 2.211 377 G HA2 0.047 4.006 3.960 -0.001 0.000 0.201 377 G HA3 0.047 4.006 3.960 -0.001 0.000 0.201 377 G C 0.218 175.167 174.900 0.082 0.000 0.997 377 G CA -0.086 45.069 45.100 0.090 0.000 0.652 377 G HN 1.261 nan 8.290 nan 0.000 0.500 378 A N 1.002 123.861 122.820 0.065 0.000 2.498 378 A HA 0.598 4.918 4.320 -0.001 0.000 0.239 378 A C 1.012 178.653 177.584 0.095 0.000 1.068 378 A CA 1.396 53.406 52.037 -0.044 0.000 0.766 378 A CB 0.090 18.917 19.000 -0.288 0.000 1.003 378 A HN 1.821 nan 8.150 nan 0.000 0.497 379 T N 0.492 115.031 114.554 -0.024 0.000 2.845 379 T HA 0.532 4.882 4.350 -0.001 0.000 0.288 379 T C -0.050 174.482 174.700 -0.280 0.000 0.980 379 T CA -0.693 61.349 62.100 -0.095 0.000 1.071 379 T CB 0.774 69.588 68.868 -0.089 0.000 0.941 379 T HN 0.771 nan 8.240 nan 0.000 0.487 380 R N 2.479 122.662 120.500 -0.529 0.000 2.393 380 R HA 0.612 4.952 4.340 -0.001 0.000 0.310 380 R C -1.543 174.444 176.300 -0.521 0.000 0.968 380 R CA -0.736 54.787 56.100 -0.962 0.000 0.867 380 R CB 1.187 30.626 30.300 -1.435 0.000 1.124 380 R HN 0.609 nan 8.270 nan 0.000 0.450 381 V N 4.110 123.756 119.914 -0.447 0.000 2.459 381 V HA 0.227 4.347 4.120 -0.001 0.000 0.295 381 V C -0.278 175.652 176.094 -0.274 0.000 1.029 381 V CA -0.998 61.136 62.300 -0.276 0.000 0.874 381 V CB 1.550 33.265 31.823 -0.179 0.000 0.985 381 V HN 0.799 nan 8.190 nan 0.000 0.438 382 N N 3.267 121.847 118.700 -0.201 0.000 2.408 382 N HA 0.280 5.019 4.740 -0.001 0.000 0.257 382 N C 0.578 176.026 175.510 -0.103 0.000 1.064 382 N CA -0.260 52.699 53.050 -0.152 0.000 0.952 382 N CB 1.654 40.073 38.487 -0.115 0.000 1.093 382 N HN 0.377 nan 8.380 nan 0.000 0.490 383 V N 3.844 123.704 119.914 -0.090 0.000 2.346 383 V HA -0.011 4.109 4.120 -0.001 0.000 0.244 383 V C 0.727 176.795 176.094 -0.044 0.000 1.037 383 V CA 1.420 63.686 62.300 -0.058 0.000 1.029 383 V CB -0.837 30.959 31.823 -0.045 0.000 0.663 383 V HN 0.881 nan 8.190 nan 0.000 0.454 384 K N -1.493 118.879 120.400 -0.047 0.000 2.672 384 K HA 0.350 4.669 4.320 -0.001 0.000 0.295 384 K C -3.330 173.237 176.600 -0.055 0.000 1.042 384 K CA -1.800 54.463 56.287 -0.039 0.000 0.869 384 K CB 0.712 33.196 32.500 -0.027 0.000 1.541 384 K HN -0.213 nan 8.250 nan 0.000 0.396 385 P HA -0.081 nan 4.420 nan 0.000 0.261 385 P C -0.779 176.440 177.300 -0.135 0.000 1.158 385 P CA 0.926 63.975 63.100 -0.085 0.000 0.758 385 P CB 0.192 31.861 31.700 -0.051 0.000 0.763 386 Q N -1.059 118.599 119.800 -0.237 0.000 2.377 386 Q HA -0.183 4.157 4.340 -0.001 0.000 0.234 386 Q C -0.377 175.545 176.000 -0.129 0.000 0.847 386 Q CA 1.133 56.763 55.803 -0.289 0.000 1.280 386 Q CB -2.231 26.283 28.738 -0.375 0.000 1.717 386 Q HN 0.268 nan 8.270 nan 0.000 0.579 387 V N 0.981 120.845 119.914 -0.084 0.000 2.448 387 V HA 0.510 4.629 4.120 -0.001 0.000 0.295 387 V C -0.178 175.887 176.094 -0.050 0.000 1.025 387 V CA -0.718 61.558 62.300 -0.040 0.000 0.859 387 V CB 2.071 33.877 31.823 -0.027 0.000 0.988 387 V HN 0.081 nan 8.190 nan 0.000 0.431 388 D N 3.889 124.274 120.400 -0.025 0.000 2.780 388 D HA 0.438 5.078 4.640 -0.001 0.000 0.242 388 D C -1.019 175.217 176.300 -0.106 0.000 1.135 388 D CA -0.466 53.462 54.000 -0.121 0.000 0.859 388 D CB 3.266 43.957 40.800 -0.183 0.000 1.530 388 D HN 0.347 nan 8.370 nan 0.000 0.493 389 L N 2.253 123.348 121.223 -0.212 0.000 2.265 389 L HA 0.423 4.762 4.340 -0.001 0.000 0.289 389 L C -1.443 175.256 176.870 -0.285 0.000 1.033 389 L CA -0.361 54.378 54.840 -0.168 0.000 0.814 389 L CB 0.610 42.573 42.059 -0.161 0.000 1.203 389 L HN 0.298 nan 8.230 nan 0.000 0.423 390 W N 4.169 125.381 121.300 -0.145 0.000 2.391 390 W HA 0.608 5.268 4.660 -0.001 0.000 0.311 390 W C -0.145 176.209 176.519 -0.275 0.000 1.087 390 W CA -0.390 56.825 57.345 -0.217 0.000 1.209 390 W CB 1.897 31.215 29.460 -0.236 0.000 1.273 390 W HN 0.392 nan 8.180 nan 0.000 0.482 391 T N 3.933 118.421 114.554 -0.110 0.000 2.824 391 T HA 0.446 4.796 4.350 -0.001 0.000 0.282 391 T C -1.038 173.535 174.700 -0.212 0.000 0.993 391 T CA -0.656 61.385 62.100 -0.099 0.000 0.967 391 T CB 0.620 69.472 68.868 -0.026 0.000 0.960 391 T HN -0.043 nan 8.240 nan 0.000 0.441 392 F N 1.697 121.705 119.950 0.096 0.000 2.391 392 F HA 0.437 4.963 4.527 -0.001 0.000 0.359 392 F C 1.570 177.405 175.800 0.058 0.000 1.122 392 F CA -0.779 57.267 58.000 0.077 0.000 1.120 392 F CB 0.986 40.022 39.000 0.061 0.000 1.142 392 F HN 0.799 nan 8.300 nan 0.000 0.483 393 G N 1.450 110.362 108.800 0.186 0.000 2.625 393 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.214 393 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.214 393 G C 1.113 176.087 174.900 0.122 0.000 1.132 393 G CA 0.868 46.043 45.100 0.126 0.000 0.782 393 G HN 0.699 nan 8.290 nan 0.000 0.538 394 D N -0.158 120.334 120.400 0.154 0.000 2.262 394 D HA -0.076 4.563 4.640 -0.001 0.000 0.212 394 D C 2.238 178.584 176.300 0.077 0.000 0.964 394 D CA 1.582 55.640 54.000 0.097 0.000 0.875 394 D CB -0.833 40.012 40.800 0.076 0.000 0.996 394 D HN 0.261 nan 8.370 nan 0.000 0.497 395 T N -4.389 110.225 114.554 0.099 0.000 3.037 395 T HA 0.378 4.727 4.350 -0.001 0.000 0.252 395 T C 1.889 176.647 174.700 0.097 0.000 1.073 395 T CA 0.458 62.600 62.100 0.071 0.000 1.091 395 T CB 0.017 68.902 68.868 0.028 0.000 0.935 395 T HN 0.433 nan 8.240 nan 0.000 0.488 396 G N 1.894 110.776 108.800 0.136 0.000 2.162 396 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.260 396 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.260 396 G C 0.108 175.098 174.900 0.150 0.000 0.976 396 G CA 0.021 45.197 45.100 0.125 0.000 0.655 396 G HN 0.684 nan 8.290 nan 0.000 0.533 397 R N 0.062 120.679 120.500 0.194 0.000 2.536 397 R HA 0.695 5.035 4.340 -0.001 0.000 0.279 397 R C -0.227 176.228 176.300 0.259 0.000 1.001 397 R CA -0.240 55.984 56.100 0.207 0.000 1.027 397 R CB 1.434 31.841 30.300 0.177 0.000 1.096 397 R HN 0.173 nan 8.270 nan 0.000 0.502 398 S N 1.408 117.219 115.700 0.184 0.000 2.600 398 S HA 0.635 5.105 4.470 -0.001 0.000 0.300 398 S C -0.525 174.112 174.600 0.060 0.000 1.087 398 S CA -0.832 57.416 58.200 0.080 0.000 0.965 398 S CB 1.446 64.565 63.200 -0.135 0.000 1.089 398 S HN 0.557 nan 8.310 nan 0.000 0.496 399 I N -1.429 119.195 120.570 0.089 0.000 2.892 399 I HA 0.720 4.890 4.170 -0.001 0.000 0.306 399 I C -1.431 174.724 176.117 0.062 0.000 1.078 399 I CA -1.132 60.214 61.300 0.076 0.000 1.032 399 I CB 1.297 39.384 38.000 0.146 0.000 1.229 399 I HN 0.437 nan 8.210 nan 0.000 0.435 400 I N 4.037 124.635 120.570 0.046 0.000 2.336 400 I HA 0.446 4.616 4.170 -0.001 0.000 0.292 400 I C -0.588 175.597 176.117 0.113 0.000 0.991 400 I CA -0.558 60.779 61.300 0.061 0.000 1.227 400 I CB 1.759 39.776 38.000 0.028 0.000 1.366 400 I HN 0.336 nan 8.210 nan 0.000 0.466 401 V N 7.341 127.360 119.914 0.176 0.000 2.459 401 V HA 0.449 4.569 4.120 -0.001 0.000 0.295 401 V C -0.012 176.155 176.094 0.122 0.000 1.029 401 V CA -0.730 61.669 62.300 0.166 0.000 0.874 401 V CB 1.572 33.546 31.823 0.252 0.000 0.985 401 V HN 0.435 nan 8.190 nan 0.000 0.438 402 L N 3.144 124.417 121.223 0.083 0.000 2.325 402 L HA 0.438 4.778 4.340 -0.001 0.000 0.279 402 L C 1.006 177.909 176.870 0.056 0.000 1.054 402 L CA -0.564 54.306 54.840 0.049 0.000 0.804 402 L CB 1.544 43.626 42.059 0.037 0.000 1.200 402 L HN 0.822 nan 8.230 nan 0.000 0.436 403 S N 1.041 116.740 115.700 -0.002 0.000 3.462 403 S HA -0.234 4.236 4.470 -0.001 0.000 0.370 403 S C 0.647 175.358 174.600 0.185 0.000 1.028 403 S CA 1.219 59.409 58.200 -0.016 0.000 1.119 403 S CB -1.459 61.786 63.200 0.074 0.000 0.906 403 S HN 0.933 nan 8.310 nan 0.000 0.471 404 E N -1.609 118.694 120.200 0.171 0.000 2.539 404 E HA -0.282 4.068 4.350 -0.001 0.000 0.253 404 E C 0.990 177.711 176.600 0.201 0.000 1.145 404 E CA 0.719 57.267 56.400 0.248 0.000 0.738 404 E CB -1.921 27.990 29.700 0.352 0.000 1.308 404 E HN 1.519 nan 8.360 nan 0.000 0.409 405 G N -0.307 108.586 108.800 0.154 0.000 2.176 405 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.253 405 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.253 405 G C 0.255 175.225 174.900 0.118 0.000 0.979 405 G CA 0.455 45.622 45.100 0.111 0.000 0.641 405 G HN 0.270 nan 8.290 nan 0.000 0.530 406 R N -0.727 119.870 120.500 0.161 0.000 2.596 406 R HA 0.624 4.963 4.340 -0.001 0.000 0.267 406 R C 0.341 176.719 176.300 0.129 0.000 1.026 406 R CA -1.187 54.999 56.100 0.144 0.000 1.087 406 R CB 0.525 30.935 30.300 0.184 0.000 1.132 406 R HN 0.065 nan 8.270 nan 0.000 0.531 407 L N 3.013 124.288 121.223 0.087 0.000 2.848 407 L HA -0.172 4.167 4.340 -0.001 0.000 0.286 407 L C 1.327 178.236 176.870 0.064 0.000 1.150 407 L CA 0.688 55.559 54.840 0.052 0.000 0.958 407 L CB -0.489 41.573 42.059 0.005 0.000 1.322 407 L HN 0.636 nan 8.230 nan 0.000 0.469 408 L N 2.084 123.337 121.223 0.050 0.000 2.179 408 L HA -0.003 4.337 4.340 -0.001 0.000 0.208 408 L C 1.981 178.870 176.870 0.032 0.000 1.096 408 L CA 1.411 56.279 54.840 0.046 0.000 0.779 408 L CB -0.811 41.273 42.059 0.043 0.000 0.922 408 L HN 0.708 nan 8.230 nan 0.000 0.443 409 N N 1.084 119.795 118.700 0.019 0.000 2.244 409 N HA -0.193 4.547 4.740 -0.001 0.000 0.183 409 N C 1.596 177.100 175.510 -0.010 0.000 1.016 409 N CA 2.074 55.135 53.050 0.018 0.000 0.866 409 N CB -0.775 37.734 38.487 0.037 0.000 0.980 409 N HN 0.530 nan 8.380 nan 0.000 0.430 410 L N -0.819 120.371 121.223 -0.055 0.000 2.513 410 L HA 0.347 4.686 4.340 -0.001 0.000 0.222 410 L C 2.355 179.248 176.870 0.039 0.000 1.096 410 L CA 0.525 55.323 54.840 -0.070 0.000 0.857 410 L CB 0.036 41.940 42.059 -0.258 0.000 1.026 410 L HN 0.296 nan 8.230 nan 0.000 0.469 411 G N -0.670 108.174 108.800 0.074 0.000 2.437 411 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.212 411 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.212 411 G C 1.332 176.246 174.900 0.024 0.000 1.174 411 G CA 0.070 45.238 45.100 0.112 0.000 0.811 411 G HN 0.213 nan 8.290 nan 0.000 0.537 412 N N 0.695 119.403 118.700 0.014 0.000 2.416 412 N HA 0.186 4.926 4.740 -0.001 0.000 0.177 412 N C 1.128 176.653 175.510 0.026 0.000 1.036 412 N CA 0.806 53.858 53.050 0.002 0.000 0.901 412 N CB 0.607 39.095 38.487 0.002 0.000 0.976 412 N HN 0.395 nan 8.380 nan 0.000 0.444 413 A N 0.127 122.971 122.820 0.039 0.000 3.891 413 A HA 0.431 4.751 4.320 -0.001 0.000 0.173 413 A C 0.815 178.435 177.584 0.060 0.000 0.735 413 A CA 0.259 52.329 52.037 0.055 0.000 0.892 413 A CB 0.058 19.097 19.000 0.065 0.000 1.601 413 A HN 0.128 nan 8.150 nan 0.000 0.796 414 T N -2.959 111.635 114.554 0.067 0.000 3.111 414 T HA 0.521 4.871 4.350 -0.001 0.000 0.284 414 T C 0.908 175.623 174.700 0.024 0.000 0.983 414 T CA 1.242 63.380 62.100 0.062 0.000 0.900 414 T CB -0.414 68.510 68.868 0.092 0.000 1.132 414 T HN 2.615 nan 8.240 nan 0.000 0.531 415 G N 1.279 110.079 108.800 -0.001 0.000 2.728 415 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.294 415 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.294 415 G C -0.677 174.248 174.900 0.041 0.000 1.342 415 G CA -0.647 44.403 45.100 -0.084 0.000 0.866 415 G HN 0.803 nan 8.290 nan 0.000 0.534 416 H N 1.723 120.782 119.070 -0.019 0.000 2.771 416 H HA 0.366 4.921 4.556 -0.001 0.000 0.364 416 H C -1.339 173.939 175.328 -0.083 0.000 1.133 416 H CA -0.461 55.569 56.048 -0.030 0.000 1.423 416 H CB 0.817 30.550 29.762 -0.049 0.000 1.425 416 H HN 0.551 nan 8.280 nan 0.000 0.606 417 P HA 0.033 nan 4.420 nan 0.000 0.279 417 P C 0.120 177.406 177.300 -0.024 0.000 1.282 417 P CA -0.400 62.621 63.100 -0.130 0.000 0.788 417 P CB 1.059 32.499 31.700 -0.433 0.000 1.139 418 S N -0.698 115.013 115.700 0.018 0.000 2.359 418 S HA -0.163 4.306 4.470 -0.001 0.000 0.224 418 S C 1.711 176.356 174.600 0.075 0.000 1.035 418 S CA 1.225 59.459 58.200 0.058 0.000 1.018 418 S CB -1.188 62.066 63.200 0.089 0.000 0.876 418 S HN 0.483 nan 8.310 nan 0.000 0.448 419 F N 2.359 122.295 119.950 -0.023 0.000 2.171 419 F HA -0.141 4.386 4.527 -0.000 0.000 0.300 419 F C 2.139 177.903 175.800 -0.059 0.000 1.090 419 F CA 0.830 58.832 58.000 0.003 0.000 1.293 419 F CB -0.308 38.698 39.000 0.010 0.000 1.013 419 F HN -0.053 nan 8.300 nan 0.000 0.486 420 V N 0.198 120.147 119.914 0.058 0.000 2.252 420 V HA -0.378 3.741 4.120 -0.001 0.000 0.249 420 V C 2.339 178.315 176.094 -0.197 0.000 1.056 420 V CA 1.942 64.205 62.300 -0.061 0.000 1.022 420 V CB -0.670 31.150 31.823 -0.006 0.000 0.641 420 V HN 0.299 nan 8.190 nan 0.000 0.445 421 M N -0.370 119.113 119.600 -0.194 0.000 2.549 421 M HA -0.058 4.422 4.480 -0.001 0.000 0.260 421 M C 2.313 178.418 176.300 -0.327 0.000 1.076 421 M CA 1.120 56.178 55.300 -0.404 0.000 1.090 421 M CB -1.721 30.650 32.600 -0.382 0.000 1.418 421 M HN 0.395 nan 8.290 nan 0.000 0.486 422 S N 0.671 116.248 115.700 -0.206 0.000 2.423 422 S HA -0.103 4.367 4.470 -0.001 0.000 0.231 422 S C 1.709 176.212 174.600 -0.160 0.000 1.014 422 S CA 1.152 59.304 58.200 -0.080 0.000 0.965 422 S CB -0.040 63.173 63.200 0.021 0.000 0.785 422 S HN 0.469 nan 8.310 nan 0.000 0.495 423 N N 1.146 119.578 118.700 -0.447 0.000 2.062 423 N HA 0.023 4.763 4.740 -0.001 0.000 0.191 423 N C 1.930 177.319 175.510 -0.202 0.000 1.042 423 N CA 1.655 54.443 53.050 -0.436 0.000 0.845 423 N CB -0.599 37.575 38.487 -0.521 0.000 1.024 423 N HN 0.236 nan 8.380 nan 0.000 0.424 424 S N 0.051 115.610 115.700 -0.235 0.000 2.383 424 S HA -0.077 4.392 4.470 -0.001 0.000 0.229 424 S C 1.391 176.011 174.600 0.034 0.000 1.030 424 S CA 0.991 59.091 58.200 -0.167 0.000 1.002 424 S CB -0.309 62.681 63.200 -0.350 0.000 0.829 424 S HN 0.254 nan 8.310 nan 0.000 0.467 425 F N 1.064 121.013 119.950 -0.001 0.000 2.619 425 F HA 0.416 4.943 4.527 -0.001 0.000 0.293 425 F C 2.375 178.180 175.800 0.009 0.000 1.119 425 F CA -0.555 57.453 58.000 0.012 0.000 1.445 425 F CB -1.253 37.749 39.000 0.003 0.000 1.119 425 F HN 0.153 nan 8.300 nan 0.000 0.573 426 A N 0.291 123.219 122.820 0.179 0.000 1.930 426 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 426 A C 2.219 179.857 177.584 0.091 0.000 1.175 426 A CA 1.543 53.650 52.037 0.115 0.000 0.627 426 A CB -0.705 18.360 19.000 0.109 0.000 0.815 426 A HN 0.278 nan 8.150 nan 0.000 0.443 427 N N -0.304 118.443 118.700 0.078 0.000 2.104 427 N HA -0.154 4.586 4.740 -0.001 0.000 0.190 427 N C 1.851 177.413 175.510 0.086 0.000 1.024 427 N CA 1.366 54.456 53.050 0.066 0.000 0.853 427 N CB -0.228 38.289 38.487 0.051 0.000 1.008 427 N HN 0.486 nan 8.380 nan 0.000 0.424 428 Q N 0.146 120.028 119.800 0.136 0.000 2.123 428 Q HA -0.010 4.330 4.340 -0.001 0.000 0.199 428 Q C 1.857 177.901 176.000 0.073 0.000 0.966 428 Q CA 1.015 56.896 55.803 0.130 0.000 0.845 428 Q CB -0.459 28.406 28.738 0.212 0.000 0.907 428 Q HN 0.400 nan 8.270 nan 0.000 0.439 429 T N 1.684 116.277 114.554 0.066 0.000 2.701 429 T HA -0.068 4.282 4.350 -0.001 0.000 0.263 429 T C 2.044 176.736 174.700 -0.013 0.000 1.040 429 T CA 0.832 62.941 62.100 0.015 0.000 1.147 429 T CB -0.220 68.660 68.868 0.020 0.000 0.865 429 T HN 0.175 nan 8.240 nan 0.000 0.426 430 I N 1.327 121.903 120.570 0.010 0.000 2.208 430 I HA -0.247 3.923 4.170 -0.001 0.000 0.245 430 I C 2.892 179.007 176.117 -0.003 0.000 1.097 430 I CA 1.239 62.539 61.300 0.000 0.000 1.363 430 I CB -0.446 37.577 38.000 0.038 0.000 1.051 430 I HN 0.215 nan 8.210 nan 0.000 0.413 431 A N -0.113 122.715 122.820 0.013 0.000 1.902 431 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 431 A C 2.252 179.824 177.584 -0.020 0.000 1.181 431 A CA 1.412 53.450 52.037 0.002 0.000 0.623 431 A CB -0.462 18.550 19.000 0.020 0.000 0.818 431 A HN 0.438 nan 8.150 nan 0.000 0.443 432 Q N -0.534 119.258 119.800 -0.012 0.000 2.119 432 Q HA -0.066 4.274 4.340 -0.001 0.000 0.201 432 Q C 2.143 178.154 176.000 0.017 0.000 0.972 432 Q CA 1.198 56.994 55.803 -0.011 0.000 0.847 432 Q CB -0.330 28.393 28.738 -0.025 0.000 0.903 432 Q HN 0.781 nan 8.270 nan 0.000 0.433 433 I N 1.026 121.579 120.570 -0.028 0.000 2.208 433 I HA -0.261 3.909 4.170 -0.001 0.000 0.245 433 I C 2.344 178.478 176.117 0.028 0.000 1.097 433 I CA 1.070 62.348 61.300 -0.037 0.000 1.363 433 I CB -0.182 37.681 38.000 -0.228 0.000 1.051 433 I HN 0.127 nan 8.210 nan 0.000 0.413 434 E N 0.620 120.828 120.200 0.012 0.000 2.047 434 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 434 E C 2.353 178.956 176.600 0.005 0.000 0.987 434 E CA 1.197 57.624 56.400 0.045 0.000 0.799 434 E CB -0.218 29.516 29.700 0.057 0.000 0.752 434 E HN 0.485 nan 8.360 nan 0.000 0.449 435 L N -0.118 121.035 121.223 -0.117 0.000 2.217 435 L HA -0.078 4.261 4.340 -0.001 0.000 0.211 435 L C 2.385 179.254 176.870 -0.002 0.000 1.107 435 L CA 0.572 55.279 54.840 -0.222 0.000 0.783 435 L CB -0.231 41.686 42.059 -0.235 0.000 0.919 435 L HN 0.322 nan 8.230 nan 0.000 0.442 436 W N 0.895 122.131 121.300 -0.108 0.000 2.408 436 W HA -0.211 4.448 4.660 -0.001 0.000 0.311 436 W C 2.464 178.959 176.519 -0.040 0.000 1.190 436 W CA 1.953 59.252 57.345 -0.077 0.000 1.321 436 W CB -0.044 29.368 29.460 -0.081 0.000 1.143 436 W HN 0.246 nan 8.180 nan 0.000 0.501 437 T N -1.366 113.139 114.554 -0.082 0.000 3.014 437 T HA 0.030 4.380 4.350 -0.001 0.000 0.263 437 T C 1.178 175.819 174.700 -0.097 0.000 1.078 437 T CA 0.660 62.667 62.100 -0.155 0.000 1.135 437 T CB -0.204 68.658 68.868 -0.011 0.000 0.895 437 T HN -0.015 nan 8.240 nan 0.000 0.480 438 K N 1.298 121.702 120.400 0.006 0.000 2.832 438 K HA 0.307 4.626 4.320 -0.001 0.000 0.211 438 K C 1.335 178.023 176.600 0.146 0.000 1.112 438 K CA -0.305 56.021 56.287 0.065 0.000 1.108 438 K CB 0.111 32.689 32.500 0.131 0.000 0.899 438 K HN 0.243 nan 8.250 nan 0.000 0.464 439 N N 1.718 120.439 118.700 0.034 0.000 2.223 439 N HA -0.178 4.562 4.740 -0.001 0.000 0.185 439 N C 0.673 176.245 175.510 0.103 0.000 1.016 439 N CA 1.367 54.464 53.050 0.079 0.000 0.863 439 N CB 0.297 38.741 38.487 -0.072 0.000 0.983 439 N HN 0.225 nan 8.380 nan 0.000 0.429 440 D N 0.918 121.324 120.400 0.011 0.000 2.190 440 D HA -0.147 4.492 4.640 -0.001 0.000 0.200 440 D C 1.116 177.406 176.300 -0.017 0.000 0.992 440 D CA 1.061 55.056 54.000 -0.008 0.000 0.854 440 D CB -0.135 40.642 40.800 -0.039 0.000 0.936 440 D HN 0.518 nan 8.370 nan 0.000 0.462 441 E N -1.348 118.810 120.200 -0.071 0.000 2.489 441 E HA -0.022 4.328 4.350 -0.001 0.000 0.193 441 E C -0.245 176.120 176.600 -0.392 0.000 1.057 441 E CA 0.028 56.277 56.400 -0.252 0.000 0.866 441 E CB 0.258 29.729 29.700 -0.382 0.000 0.916 441 E HN 0.357 nan 8.360 nan 0.000 0.500 442 Y N 1.368 121.607 120.300 -0.101 0.000 2.328 442 Y HA 0.161 4.710 4.550 -0.001 0.000 0.337 442 Y C 0.517 176.469 175.900 0.087 0.000 0.966 442 Y CA -1.166 56.863 58.100 -0.118 0.000 1.136 442 Y CB 0.985 39.320 38.460 -0.208 0.000 1.170 442 Y HN -0.142 nan 8.280 nan 0.000 0.470 443 D N 1.192 121.818 120.400 0.376 0.000 2.414 443 D HA 0.031 4.670 4.640 -0.001 0.000 0.251 443 D C -0.345 176.160 176.300 0.342 0.000 1.252 443 D CA -0.092 54.088 54.000 0.300 0.000 0.999 443 D CB 0.645 41.586 40.800 0.236 0.000 1.093 443 D HN 0.458 nan 8.370 nan 0.000 0.515 444 N N 1.528 120.347 118.700 0.198 0.000 3.034 444 N HA 0.087 4.826 4.740 -0.001 0.000 0.265 444 N C -0.106 175.467 175.510 0.104 0.000 1.166 444 N CA -0.029 53.109 53.050 0.147 0.000 1.081 444 N CB 0.277 38.800 38.487 0.060 0.000 1.378 444 N HN 0.404 nan 8.380 nan 0.000 0.520 445 E N -1.879 118.405 120.200 0.140 0.000 2.394 445 E HA 0.326 4.676 4.350 -0.001 0.000 0.266 445 E C -1.286 175.312 176.600 -0.003 0.000 1.065 445 E CA -0.887 55.524 56.400 0.017 0.000 0.885 445 E CB 0.841 30.488 29.700 -0.089 0.000 1.659 445 E HN -0.186 nan 8.360 nan 0.000 0.462 446 V N 1.251 121.128 119.914 -0.062 0.000 2.498 446 V HA 0.315 4.435 4.120 -0.001 0.000 0.279 446 V C -1.021 174.999 176.094 -0.124 0.000 1.048 446 V CA -0.034 62.287 62.300 0.036 0.000 0.967 446 V CB -0.298 31.643 31.823 0.197 0.000 0.988 446 V HN 0.476 nan 8.190 nan 0.000 0.473 447 Y N 3.701 124.103 120.300 0.169 0.000 2.598 447 Y HA 0.739 5.288 4.550 -0.001 0.000 0.340 447 Y C 0.436 176.426 175.900 0.149 0.000 1.038 447 Y CA -1.004 57.203 58.100 0.179 0.000 1.100 447 Y CB 2.005 40.615 38.460 0.251 0.000 1.281 447 Y HN 0.459 nan 8.280 nan 0.000 0.488 448 R N 0.762 121.452 120.500 0.317 0.000 2.854 448 R HA 0.582 4.922 4.340 -0.001 0.000 0.271 448 R C -1.413 175.003 176.300 0.192 0.000 0.994 448 R CA -1.100 55.128 56.100 0.212 0.000 0.945 448 R CB 1.894 32.295 30.300 0.169 0.000 1.194 448 R HN 0.509 nan 8.270 nan 0.000 0.476 449 L N 3.105 124.404 121.223 0.128 0.000 2.452 449 L HA 0.250 4.590 4.340 -0.001 0.000 0.267 449 L C -1.604 175.295 176.870 0.047 0.000 1.188 449 L CA -1.584 53.304 54.840 0.081 0.000 0.821 449 L CB 0.212 42.294 42.059 0.038 0.000 1.102 449 L HN 0.344 nan 8.230 nan 0.000 0.470 450 P HA 0.023 nan 4.420 nan 0.000 0.272 450 P C -0.088 177.132 177.300 -0.133 0.000 1.223 450 P CA -0.382 62.684 63.100 -0.056 0.000 0.784 450 P CB 0.973 32.606 31.700 -0.112 0.000 0.923 451 K N 1.012 121.407 120.400 -0.009 0.000 2.057 451 K HA -0.188 4.132 4.320 -0.001 0.000 0.207 451 K C 2.151 178.751 176.600 -0.000 0.000 1.049 451 K CA 1.293 57.605 56.287 0.041 0.000 0.931 451 K CB -0.397 32.173 32.500 0.118 0.000 0.714 451 K HN 0.612 nan 8.250 nan 0.000 0.440 452 H N 0.292 119.386 119.070 0.039 0.000 2.457 452 H HA -0.141 4.415 4.556 -0.001 0.000 0.297 452 H C 1.926 177.279 175.328 0.043 0.000 1.092 452 H CA 1.181 57.240 56.048 0.018 0.000 1.309 452 H CB -0.473 29.286 29.762 -0.005 0.000 1.382 452 H HN 0.242 nan 8.280 nan 0.000 0.535 453 L N 0.612 121.600 121.223 -0.392 0.000 2.072 453 L HA -0.121 4.219 4.340 -0.001 0.000 0.205 453 L C 2.310 179.151 176.870 -0.048 0.000 1.079 453 L CA 1.089 55.823 54.840 -0.176 0.000 0.752 453 L CB -0.285 41.641 42.059 -0.221 0.000 0.906 453 L HN 0.126 nan 8.230 nan 0.000 0.436 454 D N 0.331 120.706 120.400 -0.042 0.000 2.116 454 D HA -0.208 4.432 4.640 -0.001 0.000 0.193 454 D C 2.106 178.412 176.300 0.009 0.000 0.998 454 D CA 1.312 55.306 54.000 -0.011 0.000 0.836 454 D CB -0.042 40.757 40.800 -0.001 0.000 0.951 454 D HN 0.359 nan 8.370 nan 0.000 0.449 455 E N 0.336 120.566 120.200 0.050 0.000 2.077 455 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 455 E C 2.011 178.665 176.600 0.090 0.000 0.989 455 E CA 0.688 57.147 56.400 0.099 0.000 0.800 455 E CB -0.021 29.774 29.700 0.157 0.000 0.746 455 E HN 0.210 nan 8.360 nan 0.000 0.452 456 K N 1.196 121.644 120.400 0.081 0.000 2.097 456 K HA -0.141 4.179 4.320 -0.001 0.000 0.206 456 K C 2.055 178.689 176.600 0.056 0.000 1.049 456 K CA 0.944 57.277 56.287 0.076 0.000 0.933 456 K CB 0.059 32.611 32.500 0.087 0.000 0.717 456 K HN -0.019 nan 8.250 nan 0.000 0.442 457 V N 1.425 121.367 119.914 0.047 0.000 2.270 457 V HA -0.237 3.882 4.120 -0.001 0.000 0.245 457 V C 2.518 178.676 176.094 0.106 0.000 1.043 457 V CA 2.014 64.350 62.300 0.060 0.000 1.014 457 V CB -0.690 31.146 31.823 0.021 0.000 0.645 457 V HN 0.513 nan 8.190 nan 0.000 0.447 458 A N -0.392 122.435 122.820 0.011 0.000 1.908 458 A HA -0.280 4.040 4.320 -0.001 0.000 0.218 458 A C 2.370 179.983 177.584 0.047 0.000 1.181 458 A CA 2.157 54.177 52.037 -0.029 0.000 0.627 458 A CB -0.614 18.332 19.000 -0.090 0.000 0.818 458 A HN 0.481 nan 8.150 nan 0.000 0.445 459 R N -0.352 120.181 120.500 0.055 0.000 2.094 459 R HA -0.179 4.160 4.340 -0.001 0.000 0.239 459 R C 1.993 178.306 176.300 0.021 0.000 1.137 459 R CA 2.078 58.211 56.100 0.054 0.000 0.943 459 R CB -0.570 29.771 30.300 0.068 0.000 0.850 459 R HN 0.572 nan 8.270 nan 0.000 0.433 460 I N -0.335 120.218 120.570 -0.029 0.000 2.113 460 I HA -0.370 3.800 4.170 -0.001 0.000 0.242 460 I C 2.157 178.154 176.117 -0.200 0.000 1.057 460 I CA 2.097 63.306 61.300 -0.151 0.000 1.314 460 I CB -0.528 37.298 38.000 -0.289 0.000 1.022 460 I HN 0.343 nan 8.210 nan 0.000 0.408 461 H N -0.542 118.499 119.070 -0.049 0.000 2.357 461 H HA -0.090 4.466 4.556 -0.001 0.000 0.301 461 H C 2.299 177.709 175.328 0.137 0.000 1.082 461 H CA 1.457 57.514 56.048 0.016 0.000 1.342 461 H CB -0.435 29.216 29.762 -0.185 0.000 1.389 461 H HN 0.073 nan 8.280 nan 0.000 0.511 462 V N 1.053 121.054 119.914 0.144 0.000 2.287 462 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 462 V C 1.988 178.119 176.094 0.062 0.000 1.053 462 V CA 2.114 64.470 62.300 0.095 0.000 1.027 462 V CB -0.377 31.485 31.823 0.064 0.000 0.646 462 V HN 0.511 nan 8.190 nan 0.000 0.447 463 E N 0.121 120.350 120.200 0.048 0.000 2.077 463 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 463 E C 2.292 178.914 176.600 0.036 0.000 0.989 463 E CA 1.332 57.753 56.400 0.035 0.000 0.800 463 E CB -0.375 29.341 29.700 0.027 0.000 0.746 463 E HN 0.617 nan 8.360 nan 0.000 0.452 464 A N 0.992 123.850 122.820 0.063 0.000 1.933 464 A HA -0.137 4.183 4.320 -0.001 0.000 0.218 464 A C 2.148 179.778 177.584 0.077 0.000 1.175 464 A CA 1.028 53.124 52.037 0.098 0.000 0.628 464 A CB -0.485 18.628 19.000 0.188 0.000 0.814 464 A HN 0.144 nan 8.150 nan 0.000 0.444 465 L N -1.918 119.346 121.223 0.068 0.000 2.240 465 L HA 0.118 4.458 4.340 -0.001 0.000 0.211 465 L C 1.737 178.563 176.870 -0.073 0.000 1.106 465 L CA 0.826 55.636 54.840 -0.050 0.000 0.793 465 L CB -0.100 41.920 42.059 -0.065 0.000 0.927 465 L HN 0.624 nan 8.230 nan 0.000 0.446 466 G N -0.698 108.057 108.800 -0.074 0.000 2.159 466 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.170 466 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.170 466 G C 0.441 175.147 174.900 -0.324 0.000 1.007 466 G CA -0.393 44.614 45.100 -0.154 0.000 0.672 466 G HN 0.471 nan 8.290 nan 0.000 0.507 467 G N -0.541 108.132 108.800 -0.212 0.000 2.527 467 G HA2 0.532 4.491 3.960 -0.001 0.000 0.248 467 G HA3 0.532 4.491 3.960 -0.001 0.000 0.248 467 G C -0.554 174.197 174.900 -0.248 0.000 1.231 467 G CA -0.318 44.651 45.100 -0.219 0.000 0.838 467 G HN 0.525 nan 8.290 nan 0.000 0.570 468 H N 0.379 119.457 119.070 0.013 0.000 2.587 468 H HA 0.341 4.897 4.556 -0.001 0.000 0.325 468 H C -0.117 175.214 175.328 0.006 0.000 1.012 468 H CA -0.701 55.353 56.048 0.010 0.000 1.213 468 H CB 1.759 31.525 29.762 0.006 0.000 1.431 468 H HN 0.200 nan 8.280 nan 0.000 0.492 469 L N 2.790 124.089 121.223 0.127 0.000 2.350 469 L HA 0.265 4.604 4.340 -0.001 0.000 0.275 469 L C 0.350 177.244 176.870 0.039 0.000 1.099 469 L CA -0.392 54.482 54.840 0.057 0.000 0.808 469 L CB 1.326 43.408 42.059 0.038 0.000 1.149 469 L HN 0.648 nan 8.230 nan 0.000 0.442 470 T N 2.613 117.170 114.554 0.006 0.000 2.899 470 T HA 0.210 4.559 4.350 -0.001 0.000 0.284 470 T C -0.159 174.531 174.700 -0.017 0.000 1.004 470 T CA -0.484 61.613 62.100 -0.005 0.000 1.043 470 T CB 1.234 70.093 68.868 -0.015 0.000 1.013 470 T HN 0.383 nan 8.240 nan 0.000 0.518 471 K N 2.156 122.554 120.400 -0.004 0.000 2.221 471 K HA 0.457 4.777 4.320 -0.001 0.000 0.258 471 K C -0.774 175.831 176.600 0.009 0.000 0.944 471 K CA -0.674 55.620 56.287 0.011 0.000 0.823 471 K CB 0.759 33.272 32.500 0.022 0.000 1.113 471 K HN 0.474 nan 8.250 nan 0.000 0.431 472 L N 3.524 124.762 121.223 0.026 0.000 2.380 472 L HA 0.141 4.481 4.340 -0.001 0.000 0.273 472 L C 1.035 177.925 176.870 0.033 0.000 1.138 472 L CA -0.386 54.472 54.840 0.030 0.000 0.832 472 L CB 0.943 43.038 42.059 0.061 0.000 1.124 472 L HN 0.815 nan 8.230 nan 0.000 0.454 473 T N -0.854 113.712 114.554 0.019 0.000 2.667 473 T HA 0.094 4.444 4.350 -0.001 0.000 0.305 473 T C 1.061 175.779 174.700 0.030 0.000 1.022 473 T CA -0.355 61.755 62.100 0.018 0.000 0.995 473 T CB 0.595 69.465 68.868 0.004 0.000 1.026 473 T HN 0.768 nan 8.240 nan 0.000 0.527 474 K N 0.329 120.746 120.400 0.028 0.000 2.148 474 K HA -0.098 4.221 4.320 -0.001 0.000 0.204 474 K C 1.801 178.428 176.600 0.044 0.000 1.050 474 K CA 1.362 57.670 56.287 0.035 0.000 0.942 474 K CB -0.207 32.309 32.500 0.027 0.000 0.724 474 K HN 0.735 nan 8.250 nan 0.000 0.446 475 E N 1.062 121.284 120.200 0.037 0.000 2.208 475 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 475 E C 2.094 178.738 176.600 0.073 0.000 0.988 475 E CA 0.896 57.326 56.400 0.050 0.000 0.828 475 E CB 0.019 29.734 29.700 0.026 0.000 0.763 475 E HN 0.482 nan 8.360 nan 0.000 0.478 476 Q N 0.377 120.205 119.800 0.047 0.000 2.163 476 Q HA 0.025 4.364 4.340 -0.001 0.000 0.198 476 Q C 2.227 178.299 176.000 0.120 0.000 0.954 476 Q CA 0.864 56.700 55.803 0.056 0.000 0.851 476 Q CB 0.009 28.752 28.738 0.007 0.000 0.928 476 Q HN 0.216 nan 8.270 nan 0.000 0.459 477 A N 1.065 123.943 122.820 0.098 0.000 1.940 477 A HA -0.263 4.057 4.320 -0.001 0.000 0.219 477 A C 1.834 179.481 177.584 0.105 0.000 1.176 477 A CA 1.632 53.733 52.037 0.107 0.000 0.631 477 A CB -0.377 18.676 19.000 0.088 0.000 0.814 477 A HN 0.350 nan 8.150 nan 0.000 0.446 478 E N -1.897 118.367 120.200 0.106 0.000 2.046 478 E HA -0.158 4.191 4.350 -0.001 0.000 0.190 478 E C 1.838 178.509 176.600 0.118 0.000 0.982 478 E CA 0.957 57.412 56.400 0.093 0.000 0.800 478 E CB -0.265 29.486 29.700 0.086 0.000 0.756 478 E HN 0.699 nan 8.360 nan 0.000 0.449 479 Y N 1.224 121.535 120.300 0.018 0.000 2.114 479 Y HA -0.256 4.294 4.550 -0.001 0.000 0.282 479 Y C 1.972 177.883 175.900 0.018 0.000 1.165 479 Y CA 1.729 59.838 58.100 0.016 0.000 1.148 479 Y CB -0.110 38.359 38.460 0.015 0.000 0.972 479 Y HN 0.034 nan 8.280 nan 0.000 0.504 480 L N -1.027 120.319 121.223 0.204 0.000 2.291 480 L HA -0.002 4.337 4.340 -0.001 0.000 0.214 480 L C 1.750 178.646 176.870 0.044 0.000 1.120 480 L CA 0.920 55.830 54.840 0.116 0.000 0.799 480 L CB -0.869 41.273 42.059 0.140 0.000 0.925 480 L HN 0.542 nan 8.230 nan 0.000 0.446 481 G N 0.791 109.616 108.800 0.041 0.000 2.160 481 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.244 481 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.244 481 G C 0.042 174.958 174.900 0.028 0.000 1.022 481 G CA 0.287 45.400 45.100 0.021 0.000 0.741 481 G HN 0.337 nan 8.290 nan 0.000 0.508 482 V N -3.684 116.260 119.914 0.050 0.000 3.074 482 V HA 0.871 4.991 4.120 -0.001 0.000 0.314 482 V C -0.265 175.852 176.094 0.039 0.000 1.117 482 V CA -1.406 60.919 62.300 0.041 0.000 1.014 482 V CB 2.129 34.002 31.823 0.082 0.000 1.057 482 V HN 0.032 nan 8.190 nan 0.000 0.438 483 D N 1.247 121.642 120.400 -0.008 0.000 2.341 483 D HA 0.318 4.958 4.640 -0.001 0.000 0.245 483 D C 1.228 177.553 176.300 0.042 0.000 1.106 483 D CA -0.132 53.864 54.000 -0.007 0.000 0.905 483 D CB 2.075 42.840 40.800 -0.059 0.000 1.202 483 D HN 0.402 nan 8.370 nan 0.000 0.426 484 V N 1.767 121.728 119.914 0.078 0.000 2.594 484 V HA -0.220 3.900 4.120 -0.001 0.000 0.253 484 V C 1.618 177.840 176.094 0.213 0.000 1.069 484 V CA 1.698 64.091 62.300 0.156 0.000 1.082 484 V CB -0.366 31.518 31.823 0.102 0.000 0.680 484 V HN 0.486 nan 8.190 nan 0.000 0.469 485 E N -0.471 119.770 120.200 0.069 0.000 2.465 485 E HA 0.396 4.746 4.350 -0.001 0.000 0.191 485 E C 0.910 177.388 176.600 -0.203 0.000 1.053 485 E CA 0.569 56.992 56.400 0.039 0.000 0.869 485 E CB 0.357 30.066 29.700 0.014 0.000 0.977 485 E HN 0.602 nan 8.360 nan 0.000 0.483 486 G N 1.598 110.055 108.800 -0.571 0.000 2.760 486 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.246 486 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.246 486 G C -2.391 172.247 174.900 -0.437 0.000 1.359 486 G CA -0.755 43.677 45.100 -1.113 0.000 0.861 486 G HN 0.060 nan 8.290 nan 0.000 0.541 487 P HA 0.218 nan 4.420 nan 0.000 0.269 487 P C -0.238 176.800 177.300 -0.437 0.000 1.217 487 P CA 0.400 63.294 63.100 -0.344 0.000 0.783 487 P CB 0.140 31.807 31.700 -0.055 0.000 0.898 488 Y N -0.972 119.353 120.300 0.041 0.000 2.444 488 Y HA 0.210 4.760 4.550 -0.001 0.000 0.249 488 Y C 1.140 176.982 175.900 -0.096 0.000 1.134 488 Y CA 0.043 58.138 58.100 -0.009 0.000 1.261 488 Y CB 0.455 38.918 38.460 0.005 0.000 1.143 488 Y HN 0.053 nan 8.280 nan 0.000 0.523 489 K N 0.984 121.387 120.400 0.004 0.000 2.375 489 K HA 0.394 4.713 4.320 -0.001 0.000 0.249 489 K C -2.861 173.664 176.600 -0.124 0.000 0.942 489 K CA -2.074 54.089 56.287 -0.206 0.000 0.806 489 K CB 1.425 33.667 32.500 -0.429 0.000 1.227 489 K HN -0.191 nan 8.250 nan 0.000 0.430 490 P HA -0.036 nan 4.420 nan 0.000 0.270 490 P C 0.276 177.481 177.300 -0.158 0.000 1.221 490 P CA 0.149 63.135 63.100 -0.191 0.000 0.788 490 P CB 0.622 32.075 31.700 -0.411 0.000 0.904 491 D N -0.698 119.665 120.400 -0.063 0.000 2.224 491 D HA -0.169 4.470 4.640 -0.001 0.000 0.205 491 D C 1.490 177.833 176.300 0.072 0.000 0.965 491 D CA 1.145 55.175 54.000 0.050 0.000 0.852 491 D CB -0.306 40.556 40.800 0.104 0.000 0.947 491 D HN 0.594 nan 8.370 nan 0.000 0.494 492 H N -2.610 116.529 119.070 0.114 0.000 2.539 492 H HA 0.099 4.655 4.556 -0.001 0.000 0.267 492 H C -0.080 175.300 175.328 0.088 0.000 0.982 492 H CA -0.390 55.712 56.048 0.090 0.000 1.146 492 H CB -1.107 28.691 29.762 0.060 0.000 1.382 492 H HN 0.130 nan 8.280 nan 0.000 0.577 493 Y N 2.345 122.449 120.300 -0.326 0.000 2.620 493 Y HA 0.011 4.561 4.550 -0.001 0.000 0.330 493 Y C 1.012 176.812 175.900 -0.168 0.000 1.186 493 Y CA 0.078 57.989 58.100 -0.314 0.000 1.467 493 Y CB 0.575 38.737 38.460 -0.497 0.000 1.262 493 Y HN 0.167 nan 8.280 nan 0.000 0.550 494 R N 3.709 123.779 120.500 -0.716 0.000 2.335 494 R HA 0.092 4.432 4.340 -0.001 0.000 0.210 494 R C -0.780 175.405 176.300 -0.191 0.000 0.892 494 R CA -0.114 55.808 56.100 -0.296 0.000 1.048 494 R CB 0.120 30.300 30.300 -0.201 0.000 1.067 494 R HN 0.825 nan 8.270 nan 0.000 0.524 495 Y N 0.000 119.931 120.300 -0.615 0.000 2.660 495 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 495 Y CA 0.000 57.986 58.100 -0.189 0.000 1.940 495 Y CB 0.000 38.506 38.460 0.077 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758