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 3hk8_1_A DATA FIRST_RESID 5 DATA SEQUENCE SREVLAEKVK NAVNNQPVTD MHTHLFSPNF GEILLWDIDE LLTYHYLVAE DATA SEQUENCE VMRWTDVSIE AFWAMSKREQ ADLIWEELFI KRSPVSEACR GVLTCLQGLG DATA SEQUENCE LDPATRDLQV YREYFAKKTS EEQVDTVLQL ANVSDVVMTN DPFDDNERIS DATA SEQUENCE WLEGKQPDSR FHAALRLDPL LNEYEQTKHR LRDWGYKVND EWNEGSIQEV DATA SEQUENCE KRFLTDWIER MDPVYMAVSL PPTFSFPEES NRGRIIRDCL LPVAEKHNIP DATA SEQUENCE FAMMIGVKKR VHPALGDAGD FVGKASMDGV EHLLREYPNN KFLVTMLSRE DATA SEQUENCE NQHELVVLAR KFSNLMIFGC WWFMNNPEII NEMTRMRMEM LGTSFIPQHS DATA SEQUENCE DARVLEQLIY KWHHSKSIIA EVLIDKYDDI LQAGWEVTEE EIKRDVADLF DATA SEQUENCE SRNFWRFVG 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.619 174.600 0.032 0.000 1.055 5 S CA 0.000 58.215 58.200 0.024 0.000 1.107 5 S CB 0.000 63.215 63.200 0.025 0.000 0.593 6 R N 1.235 121.758 120.500 0.038 0.000 2.119 6 R HA 0.116 4.464 4.340 0.013 0.000 0.222 6 R C 1.350 177.676 176.300 0.045 0.000 1.088 6 R CA 1.384 57.513 56.100 0.048 0.000 0.984 6 R CB -0.048 30.282 30.300 0.049 0.000 0.884 6 R HN 0.239 nan 8.270 nan 0.000 0.447 7 E N 0.279 120.500 120.200 0.035 0.000 2.152 7 E HA -0.090 4.268 4.350 0.013 0.000 0.192 7 E C 2.000 178.616 176.600 0.027 0.000 0.983 7 E CA 0.780 57.199 56.400 0.032 0.000 0.818 7 E CB 0.013 29.729 29.700 0.026 0.000 0.758 7 E HN 0.171 nan 8.360 nan 0.000 0.467 8 V N 1.423 121.351 119.914 0.022 0.000 2.358 8 V HA -0.227 3.901 4.120 0.013 0.000 0.246 8 V C 2.457 178.559 176.094 0.013 0.000 1.047 8 V CA 1.424 63.733 62.300 0.014 0.000 1.035 8 V CB -0.514 31.315 31.823 0.009 0.000 0.658 8 V HN 0.183 nan 8.190 nan 0.000 0.452 9 L N 0.999 122.235 121.223 0.021 0.000 2.056 9 L HA -0.043 4.305 4.340 0.013 0.000 0.207 9 L C 2.447 179.342 176.870 0.042 0.000 1.078 9 L CA 2.323 57.176 54.840 0.022 0.000 0.749 9 L CB -0.891 41.196 42.059 0.047 0.000 0.901 9 L HN 0.194 nan 8.230 nan 0.000 0.433 10 A N -0.617 122.235 122.820 0.053 0.000 1.908 10 A HA -0.188 4.140 4.320 0.013 0.000 0.218 10 A C 2.130 179.741 177.584 0.046 0.000 1.181 10 A CA 1.785 53.859 52.037 0.060 0.000 0.627 10 A CB -0.608 18.424 19.000 0.054 0.000 0.818 10 A HN 0.554 nan 8.150 nan 0.000 0.445 11 E N 0.271 120.489 120.200 0.030 0.000 2.106 11 E HA -0.142 4.216 4.350 0.013 0.000 0.192 11 E C 1.925 178.533 176.600 0.015 0.000 0.984 11 E CA 1.272 57.685 56.400 0.021 0.000 0.806 11 E CB -0.318 29.391 29.700 0.014 0.000 0.750 11 E HN 0.690 nan 8.360 nan 0.000 0.458 12 K N 0.398 120.804 120.400 0.010 0.000 2.103 12 K HA -0.016 4.312 4.320 0.013 0.000 0.204 12 K C 2.260 178.867 176.600 0.012 0.000 1.052 12 K CA 0.777 57.063 56.287 -0.002 0.000 0.945 12 K CB -0.010 32.475 32.500 -0.024 0.000 0.722 12 K HN -0.067 nan 8.250 nan 0.000 0.443 13 V N 2.059 121.997 119.914 0.040 0.000 2.307 13 V HA -0.248 3.879 4.120 0.013 0.000 0.245 13 V C 2.050 178.188 176.094 0.073 0.000 1.045 13 V CA 1.716 64.072 62.300 0.093 0.000 1.024 13 V CB -0.356 31.570 31.823 0.171 0.000 0.651 13 V HN 0.279 nan 8.190 nan 0.000 0.449 14 K N 0.210 120.641 120.400 0.052 0.000 2.057 14 K HA -0.192 4.136 4.320 0.013 0.000 0.207 14 K C 1.978 178.576 176.600 -0.003 0.000 1.049 14 K CA 1.982 58.284 56.287 0.026 0.000 0.931 14 K CB -0.371 32.142 32.500 0.022 0.000 0.714 14 K HN 0.574 nan 8.250 nan 0.000 0.440 15 N N 0.476 119.175 118.700 -0.002 0.000 2.084 15 N HA -0.179 4.569 4.740 0.013 0.000 0.190 15 N C 1.943 177.437 175.510 -0.027 0.000 1.030 15 N CA 0.919 53.960 53.050 -0.016 0.000 0.849 15 N CB -0.156 38.325 38.487 -0.010 0.000 1.012 15 N HN 0.185 nan 8.380 nan 0.000 0.423 16 A N 0.953 123.767 122.820 -0.011 0.000 1.883 16 A HA -0.122 4.206 4.320 0.013 0.000 0.217 16 A C 2.442 179.996 177.584 -0.050 0.000 1.186 16 A CA 1.312 53.342 52.037 -0.011 0.000 0.624 16 A CB -0.878 18.139 19.000 0.028 0.000 0.822 16 A HN 0.113 nan 8.150 nan 0.000 0.444 17 V N 0.995 120.879 119.914 -0.049 0.000 2.295 17 V HA -0.257 3.871 4.120 0.013 0.000 0.246 17 V C 2.272 178.210 176.094 -0.260 0.000 1.049 17 V CA 2.155 64.358 62.300 -0.162 0.000 1.024 17 V CB -0.929 30.860 31.823 -0.056 0.000 0.648 17 V HN 0.566 nan 8.190 nan 0.000 0.447 18 N N 0.749 119.356 118.700 -0.155 0.000 2.244 18 N HA -0.101 4.647 4.740 0.013 0.000 0.183 18 N C 1.511 176.933 175.510 -0.146 0.000 1.016 18 N CA 1.155 54.115 53.050 -0.149 0.000 0.866 18 N CB -0.425 38.006 38.487 -0.093 0.000 0.980 18 N HN 0.505 nan 8.380 nan 0.000 0.430 19 N N 0.771 119.399 118.700 -0.120 0.000 2.422 19 N HA -0.065 4.683 4.740 0.013 0.000 0.181 19 N C 0.395 175.832 175.510 -0.121 0.000 1.080 19 N CA 0.162 53.152 53.050 -0.100 0.000 0.893 19 N CB -0.014 38.435 38.487 -0.064 0.000 0.973 19 N HN 0.274 nan 8.380 nan 0.000 0.456 20 Q N 2.459 122.157 119.800 -0.170 0.000 2.281 20 Q HA 0.198 4.546 4.340 0.013 0.000 0.267 20 Q C -2.602 173.274 176.000 -0.206 0.000 1.053 20 Q CA -1.618 54.085 55.803 -0.167 0.000 0.905 20 Q CB 0.747 29.369 28.738 -0.192 0.000 1.195 20 Q HN 0.006 nan 8.270 nan 0.000 0.398 21 P HA 0.007 nan 4.420 nan 0.000 0.267 21 P C -1.107 176.092 177.300 -0.168 0.000 1.205 21 P CA -0.084 62.930 63.100 -0.145 0.000 0.765 21 P CB 0.805 32.456 31.700 -0.082 0.000 0.828 22 V N 4.067 123.808 119.914 -0.287 0.000 2.481 22 V HA 0.274 4.402 4.120 0.013 0.000 0.286 22 V C 0.564 176.494 176.094 -0.272 0.000 1.042 22 V CA -0.001 62.068 62.300 -0.384 0.000 0.928 22 V CB 1.526 32.799 31.823 -0.916 0.000 0.986 22 V HN 0.448 nan 8.190 nan 0.000 0.462 23 T N 3.266 117.724 114.554 -0.160 0.000 2.770 23 T HA 0.184 4.542 4.350 0.013 0.000 0.297 23 T C -0.337 174.243 174.700 -0.199 0.000 0.997 23 T CA -0.201 61.855 62.100 -0.073 0.000 0.949 23 T CB 0.345 69.269 68.868 0.094 0.000 0.941 23 T HN 0.688 nan 8.240 nan 0.000 0.457 24 D N 4.388 124.700 120.400 -0.147 0.000 2.393 24 D HA 0.141 4.789 4.640 0.013 0.000 0.232 24 D C 1.133 177.342 176.300 -0.152 0.000 1.192 24 D CA -0.580 53.453 54.000 0.055 0.000 0.882 24 D CB 0.929 41.846 40.800 0.194 0.000 1.038 24 D HN 0.430 nan 8.370 nan 0.000 0.499 25 M N 2.275 121.670 119.600 -0.341 0.000 2.682 25 M HA 0.174 4.662 4.480 0.013 0.000 0.235 25 M C -0.223 175.891 176.300 -0.310 0.000 1.114 25 M CA 0.401 55.272 55.300 -0.714 0.000 1.053 25 M CB -0.263 31.377 32.600 -1.600 0.000 1.599 25 M HN 0.224 nan 8.290 nan 0.000 0.520 26 H N -0.076 118.862 119.070 -0.220 0.000 3.235 26 H HA 0.568 5.131 4.556 0.013 0.000 0.324 26 H C -1.262 174.023 175.328 -0.071 0.000 1.059 26 H CA -0.315 55.616 56.048 -0.195 0.000 1.497 26 H CB 0.809 30.343 29.762 -0.380 0.000 1.986 26 H HN 0.364 nan 8.280 nan 0.000 0.444 27 T N 1.080 115.263 114.554 -0.618 0.000 2.778 27 T HA 0.343 4.701 4.350 0.013 0.000 0.293 27 T C -0.538 173.701 174.700 -0.769 0.000 1.144 27 T CA -0.847 60.929 62.100 -0.541 0.000 1.010 27 T CB 1.685 70.422 68.868 -0.219 0.000 1.325 27 T HN 0.677 nan 8.240 nan 0.000 0.515 28 H N 0.461 119.363 119.070 -0.280 0.000 2.505 28 H HA 0.438 5.002 4.556 0.013 0.000 0.260 28 H C -0.298 174.832 175.328 -0.331 0.000 1.168 28 H CA -0.182 55.707 56.048 -0.266 0.000 0.945 28 H CB 0.131 29.848 29.762 -0.076 0.000 1.800 28 H HN 0.322 nan 8.280 nan 0.000 0.586 29 L N 0.145 121.181 121.223 -0.312 0.000 2.365 29 L HA 0.458 4.806 4.340 0.013 0.000 0.267 29 L C -0.552 176.022 176.870 -0.495 0.000 1.033 29 L CA -0.720 54.013 54.840 -0.179 0.000 0.802 29 L CB 1.071 43.159 42.059 0.049 0.000 1.267 29 L HN -0.063 nan 8.230 nan 0.000 0.457 30 F N -1.031 118.916 119.950 -0.006 0.000 2.599 30 F HA 0.276 4.811 4.527 0.014 0.000 0.311 30 F C 0.431 175.803 175.800 -0.714 0.000 1.076 30 F CA -0.654 57.184 58.000 -0.271 0.000 0.937 30 F CB 2.002 40.917 39.000 -0.141 0.000 1.282 30 F HN 0.268 nan 8.300 nan 0.000 0.460 31 S N 4.007 119.083 115.700 -1.040 0.000 2.558 31 S HA 0.056 4.534 4.470 0.013 0.000 0.293 31 S C -1.165 173.053 174.600 -0.637 0.000 1.292 31 S CA -0.984 56.370 58.200 -1.411 0.000 1.063 31 S CB 0.616 63.179 63.200 -1.062 0.000 0.831 31 S HN 0.466 nan 8.310 nan 0.000 0.499 32 P HA -0.191 nan 4.420 nan 0.000 0.217 32 P C 0.907 178.165 177.300 -0.070 0.000 1.148 32 P CA 1.295 64.275 63.100 -0.199 0.000 0.828 32 P CB -0.261 31.331 31.700 -0.180 0.000 0.783 33 N N -0.763 117.903 118.700 -0.055 0.000 2.550 33 N HA -0.118 4.630 4.740 0.013 0.000 0.186 33 N C 1.236 176.815 175.510 0.114 0.000 1.110 33 N CA 0.531 53.596 53.050 0.025 0.000 0.912 33 N CB -1.212 37.284 38.487 0.016 0.000 0.968 33 N HN 0.078 nan 8.380 nan 0.000 0.448 34 F N 0.899 120.738 119.950 -0.185 0.000 2.661 34 F HA 0.254 4.790 4.527 0.014 0.000 0.298 34 F C 1.993 177.693 175.800 -0.166 0.000 1.137 34 F CA 0.347 58.223 58.000 -0.207 0.000 1.454 34 F CB -0.462 38.404 39.000 -0.222 0.000 1.103 34 F HN 0.358 nan 8.300 nan 0.000 0.577 35 G N -0.124 108.714 108.800 0.063 0.000 2.416 35 G HA2 -0.199 3.769 3.960 0.013 0.000 0.203 35 G HA3 -0.199 3.769 3.960 0.013 0.000 0.203 35 G C 0.612 175.549 174.900 0.062 0.000 1.227 35 G CA -0.206 44.910 45.100 0.027 0.000 1.041 35 G HN -0.015 nan 8.290 nan 0.000 0.546 36 E N 0.526 120.752 120.200 0.043 0.000 2.338 36 E HA -0.062 4.296 4.350 0.013 0.000 0.197 36 E C 2.607 179.252 176.600 0.075 0.000 1.007 36 E CA 1.217 57.658 56.400 0.068 0.000 0.849 36 E CB -0.252 29.469 29.700 0.035 0.000 0.774 36 E HN 0.731 nan 8.360 nan 0.000 0.506 37 I N -1.024 119.555 120.570 0.014 0.000 2.530 37 I HA -0.145 4.033 4.170 0.013 0.000 0.257 37 I C 1.181 177.428 176.117 0.217 0.000 1.179 37 I CA 0.243 61.540 61.300 -0.005 0.000 1.440 37 I CB -0.490 37.270 38.000 -0.400 0.000 1.087 37 I HN -0.051 nan 8.210 nan 0.000 0.440 38 L N 3.647 125.016 121.223 0.244 0.000 2.407 38 L HA 0.353 4.701 4.340 0.013 0.000 0.282 38 L C -0.297 176.788 176.870 0.357 0.000 1.110 38 L CA 0.044 55.081 54.840 0.328 0.000 0.863 38 L CB 0.034 42.232 42.059 0.231 0.000 1.207 38 L HN 0.117 nan 8.230 nan 0.000 0.454 39 L N 6.722 128.137 121.223 0.320 0.000 2.350 39 L HA 0.535 4.883 4.340 0.013 0.000 0.275 39 L C -0.385 176.703 176.870 0.363 0.000 1.099 39 L CA -0.458 54.537 54.840 0.259 0.000 0.808 39 L CB 0.788 42.954 42.059 0.179 0.000 1.149 39 L HN 0.749 nan 8.230 nan 0.000 0.442 40 W N 2.633 123.947 121.300 0.023 0.000 3.057 40 W HA 0.507 5.175 4.660 0.013 0.000 0.328 40 W C -1.724 174.733 176.519 -0.104 0.000 1.232 40 W CA -1.094 56.247 57.345 -0.006 0.000 1.187 40 W CB 0.779 30.277 29.460 0.062 0.000 1.417 40 W HN 0.697 nan 8.180 nan 0.000 0.569 41 D N -0.848 119.507 120.400 -0.074 0.000 10.506 41 D HA -0.242 4.405 4.640 0.013 0.000 0.337 41 D C -0.404 175.375 176.300 -0.868 0.000 3.149 41 D CA 0.250 53.727 54.000 -0.871 0.000 2.666 41 D CB -0.854 39.439 40.800 -0.845 0.000 1.274 41 D HN 0.463 nan 8.370 nan 0.000 0.953 42 I N 0.466 120.258 120.570 -1.295 0.000 2.335 42 I HA -0.143 4.035 4.170 0.013 0.000 0.251 42 I C 1.533 177.480 176.117 -0.283 0.000 1.129 42 I CA 1.767 62.738 61.300 -0.547 0.000 1.402 42 I CB -0.486 37.342 38.000 -0.286 0.000 1.069 42 I HN 0.440 nan 8.210 nan 0.000 0.424 43 D N 0.369 120.601 120.400 -0.280 0.000 2.144 43 D HA -0.148 4.500 4.640 0.013 0.000 0.200 43 D C 2.007 178.262 176.300 -0.076 0.000 0.978 43 D CA 0.965 54.879 54.000 -0.144 0.000 0.833 43 D CB -0.089 40.626 40.800 -0.142 0.000 0.961 43 D HN 0.418 nan 8.370 nan 0.000 0.470 44 E N 0.754 120.884 120.200 -0.117 0.000 2.072 44 E HA -0.052 4.306 4.350 0.013 0.000 0.191 44 E C 2.574 179.193 176.600 0.031 0.000 0.985 44 E CA 0.115 56.501 56.400 -0.022 0.000 0.801 44 E CB -0.351 29.324 29.700 -0.041 0.000 0.750 44 E HN 0.344 nan 8.360 nan 0.000 0.452 45 L N 0.437 121.642 121.223 -0.029 0.000 2.012 45 L HA -0.190 4.158 4.340 0.013 0.000 0.210 45 L C 2.568 179.514 176.870 0.127 0.000 1.073 45 L CA 1.026 55.873 54.840 0.012 0.000 0.748 45 L CB -0.440 41.608 42.059 -0.018 0.000 0.891 45 L HN 0.119 nan 8.230 nan 0.000 0.431 46 L N -0.629 120.663 121.223 0.115 0.000 2.217 46 L HA -0.119 4.229 4.340 0.013 0.000 0.211 46 L C 2.192 179.222 176.870 0.266 0.000 1.107 46 L CA 1.426 56.389 54.840 0.205 0.000 0.783 46 L CB -0.541 41.609 42.059 0.152 0.000 0.919 46 L HN 0.427 nan 8.230 nan 0.000 0.442 47 T N -4.439 110.262 114.554 0.244 0.000 3.163 47 T HA -0.007 4.351 4.350 0.013 0.000 0.252 47 T C 0.413 175.339 174.700 0.376 0.000 1.056 47 T CA -0.421 61.867 62.100 0.313 0.000 0.947 47 T CB -0.457 68.568 68.868 0.262 0.000 1.016 47 T HN 0.044 nan 8.240 nan 0.000 0.554 48 Y N 4.284 124.694 120.300 0.183 0.000 2.811 48 Y HA 0.056 4.614 4.550 0.013 0.000 0.334 48 Y C 1.574 177.609 175.900 0.225 0.000 1.247 48 Y CA -0.686 57.500 58.100 0.143 0.000 1.526 48 Y CB 0.399 38.886 38.460 0.045 0.000 1.284 48 Y HN 0.531 nan 8.280 nan 0.000 0.586 49 H N 2.857 122.006 119.070 0.133 0.000 2.489 49 H HA -0.175 4.389 4.556 0.014 0.000 0.293 49 H C 1.017 176.382 175.328 0.062 0.000 1.066 49 H CA 2.087 58.210 56.048 0.124 0.000 1.305 49 H CB -0.670 29.190 29.762 0.163 0.000 1.386 49 H HN 0.674 nan 8.280 nan 0.000 0.551 50 Y N 0.773 120.569 120.300 -0.839 0.000 2.274 50 Y HA -0.074 4.483 4.550 0.013 0.000 0.290 50 Y C 2.308 178.152 175.900 -0.093 0.000 1.145 50 Y CA 1.011 58.844 58.100 -0.444 0.000 1.203 50 Y CB -0.293 37.826 38.460 -0.569 0.000 0.984 50 Y HN 0.283 nan 8.280 nan 0.000 0.533 51 L N -1.811 119.503 121.223 0.152 0.000 2.341 51 L HA -0.079 4.268 4.340 0.013 0.000 0.214 51 L C 2.132 179.052 176.870 0.084 0.000 1.115 51 L CA 0.128 55.071 54.840 0.172 0.000 0.820 51 L CB -0.453 41.766 42.059 0.266 0.000 0.944 51 L HN 0.012 nan 8.230 nan 0.000 0.452 52 V N 0.431 120.380 119.914 0.058 0.000 2.295 52 V HA -0.276 3.852 4.120 0.013 0.000 0.246 52 V C 2.803 178.795 176.094 -0.171 0.000 1.049 52 V CA 1.886 64.095 62.300 -0.152 0.000 1.024 52 V CB -0.774 31.003 31.823 -0.078 0.000 0.648 52 V HN 0.471 nan 8.190 nan 0.000 0.447 53 A N -0.367 122.436 122.820 -0.029 0.000 1.908 53 A HA -0.265 4.063 4.320 0.013 0.000 0.218 53 A C 2.171 179.725 177.584 -0.049 0.000 1.181 53 A CA 2.040 54.057 52.037 -0.033 0.000 0.627 53 A CB -0.483 18.543 19.000 0.044 0.000 0.818 53 A HN 0.636 nan 8.150 nan 0.000 0.445 54 E N -0.875 119.324 120.200 -0.002 0.000 2.072 54 E HA -0.104 4.254 4.350 0.013 0.000 0.191 54 E C 1.933 178.563 176.600 0.050 0.000 0.985 54 E CA 1.054 57.468 56.400 0.024 0.000 0.801 54 E CB -0.255 29.489 29.700 0.072 0.000 0.750 54 E HN 0.364 nan 8.360 nan 0.000 0.452 55 V N 1.033 120.959 119.914 0.019 0.000 2.515 55 V HA -0.202 3.926 4.120 0.013 0.000 0.250 55 V C 1.898 177.978 176.094 -0.023 0.000 1.058 55 V CA 1.227 63.550 62.300 0.039 0.000 1.064 55 V CB -0.142 31.658 31.823 -0.038 0.000 0.675 55 V HN 0.316 nan 8.190 nan 0.000 0.461 56 M N -0.679 118.837 119.600 -0.141 0.000 2.549 56 M HA -0.045 4.443 4.480 0.013 0.000 0.260 56 M C 2.026 178.262 176.300 -0.107 0.000 1.076 56 M CA 1.331 56.540 55.300 -0.152 0.000 1.090 56 M CB -1.152 31.325 32.600 -0.205 0.000 1.418 56 M HN 0.337 nan 8.290 nan 0.000 0.486 57 R N -2.212 118.208 120.500 -0.133 0.000 2.275 57 R HA -0.080 4.268 4.340 0.013 0.000 0.199 57 R C 1.413 177.497 176.300 -0.360 0.000 0.989 57 R CA 0.780 56.714 56.100 -0.277 0.000 1.016 57 R CB 0.156 30.217 30.300 -0.398 0.000 0.918 57 R HN 0.439 nan 8.270 nan 0.000 0.473 58 W N -0.813 120.449 121.300 -0.063 0.000 3.298 58 W HA 0.140 4.807 4.660 0.012 0.000 0.239 58 W C 1.067 177.562 176.519 -0.041 0.000 1.082 58 W CA -0.312 57.003 57.345 -0.050 0.000 1.711 58 W CB -0.123 29.307 29.460 -0.050 0.000 0.944 58 W HN -0.246 nan 8.180 nan 0.000 0.712 59 T N 1.290 115.966 114.554 0.204 0.000 2.926 59 T HA -0.034 4.324 4.350 0.013 0.000 0.307 59 T C 0.628 175.368 174.700 0.068 0.000 1.059 59 T CA 0.296 62.463 62.100 0.111 0.000 1.122 59 T CB 0.610 69.518 68.868 0.067 0.000 0.972 59 T HN -0.029 nan 8.240 nan 0.000 0.545 60 D N 2.297 122.735 120.400 0.063 0.000 2.339 60 D HA 0.094 4.742 4.640 0.013 0.000 0.217 60 D C 0.481 176.805 176.300 0.040 0.000 1.050 60 D CA 0.217 54.244 54.000 0.046 0.000 0.856 60 D CB 0.131 40.958 40.800 0.046 0.000 0.922 60 D HN 0.273 nan 8.370 nan 0.000 0.518 61 V N 2.357 122.299 119.914 0.046 0.000 2.521 61 V HA 0.017 4.145 4.120 0.013 0.000 0.286 61 V C 1.040 177.156 176.094 0.037 0.000 1.034 61 V CA -0.470 61.863 62.300 0.055 0.000 1.045 61 V CB 0.979 32.855 31.823 0.088 0.000 0.974 61 V HN 0.163 nan 8.190 nan 0.000 0.480 62 S N 4.886 120.613 115.700 0.045 0.000 2.584 62 S HA 0.158 4.636 4.470 0.013 0.000 0.270 62 S C 1.025 175.647 174.600 0.036 0.000 1.346 62 S CA -0.321 57.903 58.200 0.040 0.000 1.018 62 S CB 0.730 63.963 63.200 0.055 0.000 0.899 62 S HN 0.612 nan 8.310 nan 0.000 0.542 63 I N 1.179 121.758 120.570 0.015 0.000 2.286 63 I HA -0.070 4.108 4.170 0.013 0.000 0.248 63 I C 2.013 178.173 176.117 0.072 0.000 1.115 63 I CA 1.631 62.907 61.300 -0.039 0.000 1.392 63 I CB -0.789 37.209 38.000 -0.002 0.000 1.065 63 I HN 0.801 nan 8.210 nan 0.000 0.418 64 E N 0.886 121.181 120.200 0.158 0.000 2.051 64 E HA -0.120 4.237 4.350 0.013 0.000 0.192 64 E C 2.297 179.006 176.600 0.181 0.000 0.991 64 E CA 1.614 58.146 56.400 0.220 0.000 0.799 64 E CB -0.751 29.045 29.700 0.159 0.000 0.748 64 E HN 0.570 nan 8.360 nan 0.000 0.449 65 A N 0.175 123.068 122.820 0.122 0.000 1.933 65 A HA -0.179 4.149 4.320 0.013 0.000 0.218 65 A C 2.108 179.741 177.584 0.083 0.000 1.175 65 A CA 1.294 53.387 52.037 0.094 0.000 0.628 65 A CB -0.793 18.254 19.000 0.078 0.000 0.814 65 A HN 0.331 nan 8.150 nan 0.000 0.444 66 F N -0.865 119.033 119.950 -0.087 0.000 2.102 66 F HA -0.161 4.374 4.527 0.013 0.000 0.298 66 F C 1.983 177.716 175.800 -0.111 0.000 1.105 66 F CA 1.633 59.520 58.000 -0.189 0.000 1.239 66 F CB -0.501 38.244 39.000 -0.424 0.000 0.991 66 F HN 0.407 nan 8.300 nan 0.000 0.474 67 W N -0.174 121.182 121.300 0.093 0.000 2.525 67 W HA -0.023 4.645 4.660 0.013 0.000 0.259 67 W C 2.337 178.816 176.519 -0.067 0.000 1.253 67 W CA 0.556 57.899 57.345 -0.004 0.000 1.262 67 W CB -0.371 29.148 29.460 0.099 0.000 1.122 67 W HN 0.101 nan 8.180 nan 0.000 0.607 68 A N -0.352 122.558 122.820 0.151 0.000 2.072 68 A HA 0.088 4.416 4.320 0.013 0.000 0.216 68 A C 1.153 178.739 177.584 0.003 0.000 1.156 68 A CA 0.226 52.311 52.037 0.080 0.000 0.701 68 A CB -0.420 18.625 19.000 0.076 0.000 0.816 68 A HN 0.073 nan 8.150 nan 0.000 0.458 69 M N 0.967 120.520 119.600 -0.077 0.000 2.207 69 M HA 0.171 4.659 4.480 0.013 0.000 0.311 69 M C 0.976 177.213 176.300 -0.106 0.000 1.127 69 M CA -0.089 55.144 55.300 -0.112 0.000 1.181 69 M CB 0.574 33.052 32.600 -0.202 0.000 1.409 69 M HN 0.403 nan 8.290 nan 0.000 0.461 70 S N 0.357 116.010 115.700 -0.078 0.000 2.624 70 S HA 0.178 4.656 4.470 0.013 0.000 0.263 70 S C 0.726 175.277 174.600 -0.083 0.000 1.287 70 S CA -0.722 57.443 58.200 -0.058 0.000 0.990 70 S CB 1.085 64.260 63.200 -0.041 0.000 0.950 70 S HN 0.798 nan 8.310 nan 0.000 0.561 71 K N 0.425 120.791 120.400 -0.056 0.000 2.147 71 K HA -0.100 4.228 4.320 0.013 0.000 0.205 71 K C 2.406 178.976 176.600 -0.049 0.000 1.049 71 K CA 1.044 57.301 56.287 -0.048 0.000 0.936 71 K CB -0.159 32.325 32.500 -0.027 0.000 0.722 71 K HN 0.703 nan 8.250 nan 0.000 0.446 72 R N 0.839 121.309 120.500 -0.051 0.000 2.075 72 R HA -0.140 4.207 4.340 0.013 0.000 0.232 72 R C 1.622 177.903 176.300 -0.032 0.000 1.126 72 R CA 1.916 57.988 56.100 -0.046 0.000 0.963 72 R CB -0.017 30.256 30.300 -0.045 0.000 0.858 72 R HN 0.316 nan 8.270 nan 0.000 0.435 73 E N 0.127 120.303 120.200 -0.039 0.000 2.106 73 E HA -0.201 4.157 4.350 0.013 0.000 0.192 73 E C 2.201 178.792 176.600 -0.016 0.000 0.984 73 E CA 1.155 57.539 56.400 -0.026 0.000 0.806 73 E CB -0.014 29.662 29.700 -0.040 0.000 0.750 73 E HN 0.498 nan 8.360 nan 0.000 0.458 74 Q N 0.632 120.379 119.800 -0.089 0.000 2.050 74 Q HA -0.148 4.200 4.340 0.013 0.000 0.202 74 Q C 2.334 178.423 176.000 0.149 0.000 0.980 74 Q CA 1.397 57.155 55.803 -0.076 0.000 0.840 74 Q CB -0.244 28.278 28.738 -0.361 0.000 0.898 74 Q HN 0.244 nan 8.270 nan 0.000 0.424 75 A N 1.566 124.440 122.820 0.091 0.000 1.902 75 A HA -0.230 4.098 4.320 0.013 0.000 0.217 75 A C 1.674 179.346 177.584 0.147 0.000 1.181 75 A CA 1.789 53.897 52.037 0.117 0.000 0.623 75 A CB -0.428 18.588 19.000 0.027 0.000 0.818 75 A HN 0.255 nan 8.150 nan 0.000 0.443 76 D N -0.516 119.944 120.400 0.101 0.000 2.144 76 D HA -0.111 4.537 4.640 0.013 0.000 0.200 76 D C 1.876 178.298 176.300 0.204 0.000 0.978 76 D CA 1.266 55.344 54.000 0.130 0.000 0.833 76 D CB -0.315 40.525 40.800 0.067 0.000 0.961 76 D HN 0.368 nan 8.370 nan 0.000 0.470 77 L N 1.025 122.359 121.223 0.185 0.000 2.017 77 L HA -0.090 4.258 4.340 0.013 0.000 0.208 77 L C 2.204 179.212 176.870 0.230 0.000 1.073 77 L CA 1.339 56.296 54.840 0.196 0.000 0.745 77 L CB -0.481 41.709 42.059 0.219 0.000 0.894 77 L HN -0.046 nan 8.230 nan 0.000 0.432 78 I N -1.588 119.151 120.570 0.283 0.000 2.286 78 I HA -0.334 3.844 4.170 0.013 0.000 0.248 78 I C 2.375 178.729 176.117 0.396 0.000 1.115 78 I CA 1.527 63.009 61.300 0.304 0.000 1.392 78 I CB -0.544 37.655 38.000 0.331 0.000 1.065 78 I HN 0.588 nan 8.210 nan 0.000 0.418 79 W N 2.213 123.614 121.300 0.168 0.000 2.355 79 W HA -0.260 4.408 4.660 0.013 0.000 0.309 79 W C 2.401 179.039 176.519 0.197 0.000 1.206 79 W CA 2.007 59.423 57.345 0.119 0.000 1.284 79 W CB -0.041 29.384 29.460 -0.058 0.000 1.145 79 W HN 0.155 nan 8.180 nan 0.000 0.502 80 E N 0.782 121.119 120.200 0.230 0.000 2.031 80 E HA -0.233 4.125 4.350 0.013 0.000 0.193 80 E C 1.995 178.589 176.600 -0.010 0.000 0.994 80 E CA 2.037 58.488 56.400 0.084 0.000 0.800 80 E CB -0.557 29.214 29.700 0.119 0.000 0.752 80 E HN 0.101 nan 8.360 nan 0.000 0.447 81 E N -0.002 120.215 120.200 0.028 0.000 2.072 81 E HA -0.111 4.247 4.350 0.013 0.000 0.191 81 E C 2.205 178.698 176.600 -0.178 0.000 0.985 81 E CA 1.076 57.440 56.400 -0.060 0.000 0.801 81 E CB -0.106 29.614 29.700 0.034 0.000 0.750 81 E HN 0.389 nan 8.360 nan 0.000 0.452 82 L N -1.270 119.913 121.223 -0.067 0.000 2.513 82 L HA 0.135 4.483 4.340 0.013 0.000 0.222 82 L C 1.743 178.330 176.870 -0.471 0.000 1.096 82 L CA 0.185 54.886 54.840 -0.231 0.000 0.857 82 L CB 0.012 41.976 42.059 -0.158 0.000 1.026 82 L HN 0.008 nan 8.230 nan 0.000 0.469 83 F N -1.242 118.465 119.950 -0.404 0.000 2.637 83 F HA 0.160 4.694 4.527 0.013 0.000 0.284 83 F C 2.028 177.529 175.800 -0.497 0.000 1.105 83 F CA 0.007 57.667 58.000 -0.567 0.000 1.356 83 F CB 0.411 38.728 39.000 -1.139 0.000 1.096 83 F HN -0.167 nan 8.300 nan 0.000 0.616 84 I N 0.222 120.635 120.570 -0.261 0.000 2.729 84 I HA -0.029 4.149 4.170 0.013 0.000 0.256 84 I C 1.848 177.859 176.117 -0.176 0.000 1.115 84 I CA 1.088 62.272 61.300 -0.192 0.000 1.446 84 I CB -1.062 36.860 38.000 -0.130 0.000 1.176 84 I HN 0.051 nan 8.210 nan 0.000 0.446 85 K N 0.751 121.026 120.400 -0.208 0.000 2.217 85 K HA -0.016 4.312 4.320 0.013 0.000 0.202 85 K C 0.169 176.565 176.600 -0.339 0.000 1.051 85 K CA 0.673 56.810 56.287 -0.249 0.000 0.952 85 K CB 0.205 32.542 32.500 -0.272 0.000 0.736 85 K HN 0.186 nan 8.250 nan 0.000 0.453 86 R N -0.568 119.703 120.500 -0.382 0.000 2.740 86 R HA 0.246 4.594 4.340 0.013 0.000 0.273 86 R C -1.051 175.070 176.300 -0.298 0.000 0.998 86 R CA -0.470 55.400 56.100 -0.383 0.000 0.900 86 R CB 1.909 31.866 30.300 -0.571 0.000 1.223 86 R HN -0.157 nan 8.270 nan 0.000 0.466 87 S N 3.377 118.943 115.700 -0.223 0.000 2.549 87 S HA 0.151 4.629 4.470 0.013 0.000 0.283 87 S C -1.910 172.531 174.600 -0.265 0.000 1.320 87 S CA -0.594 57.486 58.200 -0.200 0.000 1.058 87 S CB 0.547 63.669 63.200 -0.130 0.000 0.882 87 S HN 0.445 nan 8.310 nan 0.000 0.498 88 P HA 0.097 nan 4.420 nan 0.000 0.226 88 P C 0.751 177.879 177.300 -0.286 0.000 1.783 88 P CA -0.140 62.654 63.100 -0.510 0.000 0.980 88 P CB -0.467 30.768 31.700 -0.776 0.000 1.967 89 V N -0.867 118.933 119.914 -0.190 0.000 3.306 89 V HA 0.009 4.137 4.120 0.013 0.000 0.264 89 V C 1.167 177.211 176.094 -0.083 0.000 1.149 89 V CA 0.483 62.715 62.300 -0.112 0.000 1.143 89 V CB -1.300 30.479 31.823 -0.074 0.000 0.767 89 V HN 0.366 nan 8.190 nan 0.000 0.476 90 S N 0.509 116.155 115.700 -0.089 0.000 2.584 90 S HA 0.124 4.602 4.470 0.013 0.000 0.270 90 S C 1.098 175.689 174.600 -0.016 0.000 1.346 90 S CA 0.608 58.789 58.200 -0.031 0.000 1.018 90 S CB 1.309 64.504 63.200 -0.009 0.000 0.899 90 S HN 0.502 nan 8.310 nan 0.000 0.542 91 E N 1.996 122.223 120.200 0.044 0.000 2.085 91 E HA -0.122 4.235 4.350 0.013 0.000 0.194 91 E C 2.041 178.684 176.600 0.071 0.000 0.994 91 E CA 1.994 58.445 56.400 0.085 0.000 0.801 91 E CB -0.958 28.840 29.700 0.164 0.000 0.743 91 E HN 0.814 nan 8.360 nan 0.000 0.453 92 A N -0.277 122.613 122.820 0.117 0.000 1.930 92 A HA -0.158 4.170 4.320 0.013 0.000 0.217 92 A C 2.586 180.166 177.584 -0.007 0.000 1.175 92 A CA 1.410 53.514 52.037 0.112 0.000 0.627 92 A CB -0.935 18.236 19.000 0.286 0.000 0.815 92 A HN 0.500 nan 8.150 nan 0.000 0.443 93 C N -1.119 118.165 119.300 -0.027 0.000 2.446 93 C HA -0.024 4.443 4.460 0.013 0.000 0.277 93 C C 2.793 177.767 174.990 -0.028 0.000 1.275 93 C CA 1.041 60.003 59.018 -0.094 0.000 1.727 93 C CB -1.193 26.238 27.740 -0.515 0.000 2.010 93 C HN 0.718 nan 8.230 nan 0.000 0.486 94 R N 1.135 121.589 120.500 -0.077 0.000 2.091 94 R HA -0.117 4.231 4.340 0.013 0.000 0.238 94 R C 2.254 178.525 176.300 -0.048 0.000 1.136 94 R CA 2.046 58.127 56.100 -0.031 0.000 0.959 94 R CB -0.763 29.513 30.300 -0.040 0.000 0.856 94 R HN 0.549 nan 8.270 nan 0.000 0.437 95 G N 0.373 108.971 108.800 -0.336 0.000 2.440 95 G HA2 -0.229 3.739 3.960 0.013 0.000 0.218 95 G HA3 -0.229 3.739 3.960 0.013 0.000 0.218 95 G C 1.452 176.005 174.900 -0.579 0.000 1.154 95 G CA 0.950 45.333 45.100 -1.196 0.000 0.767 95 G HN 0.240 nan 8.290 nan 0.000 0.552 96 V N 1.114 120.903 119.914 -0.209 0.000 2.287 96 V HA -0.169 3.959 4.120 0.013 0.000 0.248 96 V C 2.940 179.068 176.094 0.057 0.000 1.053 96 V CA 1.665 63.989 62.300 0.041 0.000 1.027 96 V CB -0.474 31.501 31.823 0.254 0.000 0.646 96 V HN 0.372 nan 8.190 nan 0.000 0.447 97 L N -0.464 120.826 121.223 0.111 0.000 2.046 97 L HA -0.174 4.174 4.340 0.013 0.000 0.208 97 L C 2.623 179.497 176.870 0.006 0.000 1.077 97 L CA 1.980 56.869 54.840 0.081 0.000 0.747 97 L CB -1.255 40.878 42.059 0.123 0.000 0.896 97 L HN 0.336 nan 8.230 nan 0.000 0.432 98 T N -0.833 113.721 114.554 0.001 0.000 2.720 98 T HA -0.200 4.158 4.350 0.013 0.000 0.268 98 T C 2.072 176.759 174.700 -0.022 0.000 1.037 98 T CA 1.585 63.669 62.100 -0.026 0.000 1.144 98 T CB -0.398 68.474 68.868 0.006 0.000 0.864 98 T HN 0.394 nan 8.240 nan 0.000 0.444 99 C N 0.895 120.206 119.300 0.019 0.000 2.429 99 C HA 0.060 4.528 4.460 0.013 0.000 0.277 99 C C 2.698 177.675 174.990 -0.021 0.000 1.262 99 C CA 0.271 59.316 59.018 0.045 0.000 1.733 99 C CB -1.411 26.390 27.740 0.102 0.000 2.010 99 C HN 0.517 nan 8.230 nan 0.000 0.483 100 L N 0.369 121.548 121.223 -0.075 0.000 1.989 100 L HA -0.257 4.091 4.340 0.013 0.000 0.211 100 L C 2.828 179.584 176.870 -0.189 0.000 1.071 100 L CA 1.936 56.654 54.840 -0.202 0.000 0.749 100 L CB -0.955 40.893 42.059 -0.351 0.000 0.890 100 L HN 0.460 nan 8.230 nan 0.000 0.431 101 Q N 0.038 119.767 119.800 -0.118 0.000 2.096 101 Q HA -0.187 4.161 4.340 0.013 0.000 0.204 101 Q C 2.113 178.075 176.000 -0.063 0.000 0.982 101 Q CA 1.769 57.525 55.803 -0.078 0.000 0.850 101 Q CB -0.253 28.460 28.738 -0.041 0.000 0.901 101 Q HN 0.551 nan 8.270 nan 0.000 0.422 102 G N 0.727 109.499 108.800 -0.047 0.000 2.448 102 G HA2 -0.190 3.778 3.960 0.013 0.000 0.219 102 G HA3 -0.190 3.778 3.960 0.013 0.000 0.219 102 G C 1.245 176.118 174.900 -0.046 0.000 1.127 102 G CA 0.448 45.540 45.100 -0.013 0.000 0.766 102 G HN 0.331 nan 8.290 nan 0.000 0.552 103 L N 0.067 121.215 121.223 -0.125 0.000 2.599 103 L HA 0.253 4.601 4.340 0.013 0.000 0.230 103 L C 2.076 178.790 176.870 -0.260 0.000 1.141 103 L CA 0.512 55.209 54.840 -0.239 0.000 0.877 103 L CB 0.133 41.894 42.059 -0.497 0.000 1.009 103 L HN 0.389 nan 8.230 nan 0.000 0.447 104 G N -0.178 108.526 108.800 -0.160 0.000 2.176 104 G HA2 -0.235 3.733 3.960 0.013 0.000 0.232 104 G HA3 -0.235 3.733 3.960 0.013 0.000 0.232 104 G C 0.256 175.091 174.900 -0.108 0.000 0.986 104 G CA -0.290 44.751 45.100 -0.099 0.000 0.643 104 G HN 0.178 nan 8.290 nan 0.000 0.522 105 L N 0.427 121.534 121.223 -0.194 0.000 2.456 105 L HA 0.574 4.922 4.340 0.013 0.000 0.257 105 L C 0.126 176.956 176.870 -0.066 0.000 1.162 105 L CA -0.584 54.173 54.840 -0.138 0.000 0.808 105 L CB 0.709 42.587 42.059 -0.302 0.000 1.136 105 L HN 0.095 nan 8.230 nan 0.000 0.466 106 D N 0.793 121.240 120.400 0.078 0.000 2.460 106 D HA 0.276 4.924 4.640 0.013 0.000 0.232 106 D C -1.919 174.504 176.300 0.204 0.000 1.079 106 D CA -2.029 52.039 54.000 0.114 0.000 0.864 106 D CB 1.650 42.527 40.800 0.129 0.000 1.048 106 D HN 0.085 nan 8.370 nan 0.000 0.523 107 P HA -0.058 nan 4.420 nan 0.000 0.225 107 P C 0.966 178.411 177.300 0.241 0.000 1.148 107 P CA 0.742 63.955 63.100 0.188 0.000 0.779 107 P CB 0.317 32.076 31.700 0.099 0.000 0.780 108 A N -0.240 122.682 122.820 0.170 0.000 1.972 108 A HA -0.178 4.150 4.320 0.013 0.000 0.219 108 A C 2.195 179.870 177.584 0.151 0.000 1.169 108 A CA 2.298 54.416 52.037 0.135 0.000 0.635 108 A CB -1.806 17.250 19.000 0.093 0.000 0.810 108 A HN 0.346 nan 8.150 nan 0.000 0.446 109 T N -4.038 110.626 114.554 0.184 0.000 3.043 109 T HA 0.017 4.375 4.350 0.013 0.000 0.263 109 T C 0.956 175.749 174.700 0.154 0.000 1.094 109 T CA 0.625 62.804 62.100 0.131 0.000 1.127 109 T CB -0.352 68.563 68.868 0.078 0.000 0.905 109 T HN 0.571 nan 8.240 nan 0.000 0.490 110 R N 1.003 121.692 120.500 0.315 0.000 3.758 110 R HA -0.129 4.219 4.340 0.013 0.000 0.299 110 R C -0.763 175.633 176.300 0.161 0.000 1.182 110 R CA 0.851 57.231 56.100 0.467 0.000 0.809 110 R CB -2.138 28.387 30.300 0.376 0.000 1.249 110 R HN 0.458 nan 8.270 nan 0.000 0.497 111 D N 1.030 121.250 120.400 -0.300 0.000 2.494 111 D HA 0.059 4.707 4.640 0.013 0.000 0.217 111 D C 1.030 176.652 176.300 -1.130 0.000 1.153 111 D CA -0.206 53.459 54.000 -0.559 0.000 0.954 111 D CB 0.761 41.307 40.800 -0.424 0.000 1.034 111 D HN 0.046 nan 8.370 nan 0.000 0.518 112 L N 3.704 124.434 121.223 -0.821 0.000 2.079 112 L HA -0.190 4.158 4.340 0.013 0.000 0.210 112 L C 1.951 178.544 176.870 -0.461 0.000 1.081 112 L CA 1.747 56.114 54.840 -0.789 0.000 0.752 112 L CB -0.201 41.312 42.059 -0.909 0.000 0.896 112 L HN 0.326 nan 8.230 nan 0.000 0.433 113 Q N -0.860 118.729 119.800 -0.352 0.000 2.084 113 Q HA -0.101 4.247 4.340 0.013 0.000 0.202 113 Q C 2.390 178.292 176.000 -0.164 0.000 0.978 113 Q CA 1.720 57.404 55.803 -0.199 0.000 0.844 113 Q CB -0.833 27.817 28.738 -0.146 0.000 0.898 113 Q HN 0.451 nan 8.270 nan 0.000 0.426 114 V N 0.518 120.278 119.914 -0.258 0.000 2.358 114 V HA -0.243 3.885 4.120 0.013 0.000 0.246 114 V C 2.000 178.086 176.094 -0.013 0.000 1.047 114 V CA 1.515 63.723 62.300 -0.154 0.000 1.035 114 V CB -0.760 30.945 31.823 -0.196 0.000 0.658 114 V HN 0.226 nan 8.190 nan 0.000 0.452 115 Y N 0.819 121.104 120.300 -0.026 0.000 2.181 115 Y HA -0.160 4.398 4.550 0.013 0.000 0.288 115 Y C 2.622 178.642 175.900 0.200 0.000 1.146 115 Y CA 0.941 59.063 58.100 0.036 0.000 1.164 115 Y CB -1.006 37.442 38.460 -0.020 0.000 0.982 115 Y HN 0.168 nan 8.280 nan 0.000 0.515 116 R N 0.117 120.783 120.500 0.276 0.000 2.127 116 R HA -0.152 4.196 4.340 0.013 0.000 0.238 116 R C 2.049 178.503 176.300 0.257 0.000 1.134 116 R CA 1.253 57.521 56.100 0.280 0.000 0.975 116 R CB -0.167 30.175 30.300 0.071 0.000 0.865 116 R HN 0.315 nan 8.270 nan 0.000 0.447 117 E N 0.026 120.318 120.200 0.153 0.000 2.085 117 E HA -0.242 4.115 4.350 0.013 0.000 0.194 117 E C 1.674 178.335 176.600 0.100 0.000 0.994 117 E CA 1.197 57.656 56.400 0.098 0.000 0.801 117 E CB -0.384 29.350 29.700 0.056 0.000 0.743 117 E HN 0.438 nan 8.360 nan 0.000 0.453 118 Y N 0.461 120.740 120.300 -0.036 0.000 2.151 118 Y HA -0.286 4.273 4.550 0.014 0.000 0.284 118 Y C 2.014 177.794 175.900 -0.199 0.000 1.166 118 Y CA 1.836 59.818 58.100 -0.197 0.000 1.163 118 Y CB -0.404 37.800 38.460 -0.426 0.000 0.974 118 Y HN -0.064 nan 8.280 nan 0.000 0.511 119 F N -0.359 119.748 119.950 0.262 0.000 2.234 119 F HA 0.041 4.575 4.527 0.013 0.000 0.296 119 F C 2.542 178.405 175.800 0.106 0.000 1.089 119 F CA 0.848 58.994 58.000 0.243 0.000 1.343 119 F CB -1.047 38.081 39.000 0.215 0.000 1.040 119 F HN 0.099 nan 8.300 nan 0.000 0.498 120 A N 0.788 123.726 122.820 0.196 0.000 2.125 120 A HA -0.169 4.159 4.320 0.013 0.000 0.219 120 A C 1.924 179.550 177.584 0.072 0.000 1.156 120 A CA 1.389 53.481 52.037 0.092 0.000 0.671 120 A CB -0.840 18.192 19.000 0.053 0.000 0.794 120 A HN 0.519 nan 8.150 nan 0.000 0.459 121 K N -0.447 119.972 120.400 0.032 0.000 2.410 121 K HA 0.254 4.582 4.320 0.013 0.000 0.200 121 K C -0.182 176.414 176.600 -0.007 0.000 1.023 121 K CA -0.128 56.155 56.287 -0.006 0.000 1.149 121 K CB 0.204 32.671 32.500 -0.056 0.000 0.859 121 K HN 0.254 nan 8.250 nan 0.000 0.514 122 K N 1.016 121.465 120.400 0.082 0.000 2.400 122 K HA 0.237 4.565 4.320 0.013 0.000 0.246 122 K C -0.495 176.236 176.600 0.219 0.000 0.995 122 K CA -0.913 55.420 56.287 0.078 0.000 0.840 122 K CB 1.946 34.441 32.500 -0.008 0.000 1.293 122 K HN 0.143 nan 8.250 nan 0.000 0.445 123 T N -2.573 112.026 114.554 0.075 0.000 2.944 123 T HA 0.115 4.473 4.350 0.013 0.000 0.284 123 T C 1.365 175.983 174.700 -0.136 0.000 1.010 123 T CA -0.371 61.784 62.100 0.093 0.000 1.025 123 T CB 1.456 70.341 68.868 0.027 0.000 1.079 123 T HN 0.604 nan 8.240 nan 0.000 0.516 124 S N 0.755 116.405 115.700 -0.083 0.000 2.368 124 S HA -0.184 4.294 4.470 0.013 0.000 0.225 124 S C 1.629 175.986 174.600 -0.405 0.000 1.030 124 S CA 1.295 59.199 58.200 -0.493 0.000 0.999 124 S CB -0.850 62.302 63.200 -0.081 0.000 0.844 124 S HN 0.789 nan 8.310 nan 0.000 0.459 125 E N 1.716 121.802 120.200 -0.191 0.000 2.118 125 E HA -0.108 4.250 4.350 0.013 0.000 0.195 125 E C 2.178 178.691 176.600 -0.145 0.000 0.992 125 E CA 1.708 58.026 56.400 -0.137 0.000 0.804 125 E CB -0.327 29.328 29.700 -0.075 0.000 0.741 125 E HN 0.773 nan 8.360 nan 0.000 0.458 126 E N -0.018 120.086 120.200 -0.161 0.000 2.072 126 E HA -0.220 4.138 4.350 0.013 0.000 0.191 126 E C 2.082 178.580 176.600 -0.171 0.000 0.985 126 E CA 1.044 57.362 56.400 -0.136 0.000 0.801 126 E CB -0.058 29.573 29.700 -0.115 0.000 0.750 126 E HN 0.094 nan 8.360 nan 0.000 0.452 127 Q N 0.965 120.574 119.800 -0.320 0.000 2.167 127 Q HA -0.106 4.241 4.340 0.013 0.000 0.202 127 Q C 2.033 177.916 176.000 -0.195 0.000 0.970 127 Q CA 1.006 56.624 55.803 -0.308 0.000 0.855 127 Q CB -0.041 28.269 28.738 -0.714 0.000 0.911 127 Q HN 0.091 nan 8.270 nan 0.000 0.438 128 V N 1.005 120.791 119.914 -0.214 0.000 2.343 128 V HA -0.241 3.887 4.120 0.013 0.000 0.247 128 V C 1.633 177.713 176.094 -0.023 0.000 1.051 128 V CA 2.092 64.349 62.300 -0.072 0.000 1.036 128 V CB -0.574 31.238 31.823 -0.019 0.000 0.654 128 V HN 0.404 nan 8.190 nan 0.000 0.451 129 D N -0.181 120.195 120.400 -0.040 0.000 2.117 129 D HA -0.134 4.514 4.640 0.013 0.000 0.197 129 D C 2.277 178.567 176.300 -0.016 0.000 0.987 129 D CA 1.879 55.866 54.000 -0.022 0.000 0.829 129 D CB -0.436 40.346 40.800 -0.030 0.000 0.961 129 D HN 0.395 nan 8.370 nan 0.000 0.460 130 T N 0.747 115.291 114.554 -0.016 0.000 2.674 130 T HA -0.105 4.253 4.350 0.013 0.000 0.265 130 T C 2.292 177.008 174.700 0.027 0.000 1.039 130 T CA 1.006 63.115 62.100 0.015 0.000 1.150 130 T CB -0.469 68.427 68.868 0.046 0.000 0.864 130 T HN -0.044 nan 8.240 nan 0.000 0.427 131 V N 1.671 121.604 119.914 0.032 0.000 2.295 131 V HA -0.122 4.006 4.120 0.013 0.000 0.246 131 V C 2.536 178.642 176.094 0.020 0.000 1.049 131 V CA 1.525 63.851 62.300 0.044 0.000 1.024 131 V CB -0.736 31.122 31.823 0.059 0.000 0.648 131 V HN 0.443 nan 8.190 nan 0.000 0.447 132 L N -0.152 121.070 121.223 -0.002 0.000 2.131 132 L HA -0.198 4.150 4.340 0.013 0.000 0.210 132 L C 2.673 179.519 176.870 -0.040 0.000 1.092 132 L CA 1.498 56.317 54.840 -0.036 0.000 0.759 132 L CB -0.673 41.352 42.059 -0.057 0.000 0.903 132 L HN 0.401 nan 8.230 nan 0.000 0.435 133 Q N 0.909 120.696 119.800 -0.022 0.000 2.046 133 Q HA -0.158 4.190 4.340 0.013 0.000 0.200 133 Q C 2.296 178.287 176.000 -0.014 0.000 0.975 133 Q CA 1.623 57.413 55.803 -0.022 0.000 0.836 133 Q CB -0.177 28.554 28.738 -0.012 0.000 0.896 133 Q HN 0.518 nan 8.270 nan 0.000 0.428 134 L N 0.287 121.514 121.223 0.006 0.000 2.046 134 L HA -0.140 4.208 4.340 0.013 0.000 0.208 134 L C 2.388 179.273 176.870 0.026 0.000 1.077 134 L CA 1.300 56.154 54.840 0.023 0.000 0.747 134 L CB -0.543 41.540 42.059 0.041 0.000 0.896 134 L HN 0.172 nan 8.230 nan 0.000 0.432 135 A N -1.027 121.806 122.820 0.022 0.000 2.208 135 A HA -0.094 4.234 4.320 0.013 0.000 0.209 135 A C 0.998 178.538 177.584 -0.073 0.000 1.161 135 A CA 0.444 52.497 52.037 0.027 0.000 0.782 135 A CB -0.413 18.629 19.000 0.070 0.000 0.816 135 A HN 0.586 nan 8.150 nan 0.000 0.477 136 N N -0.965 117.683 118.700 -0.087 0.000 2.725 136 N HA -0.142 4.606 4.740 0.013 0.000 0.251 136 N C -0.873 174.507 175.510 -0.217 0.000 1.031 136 N CA 0.938 53.907 53.050 -0.135 0.000 0.720 136 N CB -1.687 36.714 38.487 -0.143 0.000 0.930 136 N HN 0.158 nan 8.380 nan 0.000 0.543 137 V N 1.298 121.089 119.914 -0.206 0.000 2.347 137 V HA 0.292 4.420 4.120 0.013 0.000 0.280 137 V C 1.474 177.462 176.094 -0.177 0.000 1.021 137 V CA 0.213 62.356 62.300 -0.261 0.000 0.847 137 V CB 1.468 33.140 31.823 -0.252 0.000 0.990 137 V HN 0.512 nan 8.190 nan 0.000 0.444 138 S N 2.270 117.883 115.700 -0.144 0.000 2.456 138 S HA 0.174 4.652 4.470 0.013 0.000 0.224 138 S C 0.350 174.917 174.600 -0.055 0.000 1.035 138 S CA 0.042 58.192 58.200 -0.084 0.000 0.940 138 S CB 0.273 63.447 63.200 -0.044 0.000 0.799 138 S HN 0.714 nan 8.310 nan 0.000 0.508 139 D N 0.753 121.141 120.400 -0.020 0.000 2.896 139 D HA 0.517 5.165 4.640 0.013 0.000 0.241 139 D C -1.598 174.686 176.300 -0.027 0.000 1.188 139 D CA -0.342 53.714 54.000 0.093 0.000 0.879 139 D CB 2.703 43.757 40.800 0.422 0.000 1.553 139 D HN 0.036 nan 8.370 nan 0.000 0.515 140 V N 1.826 121.655 119.914 -0.142 0.000 2.495 140 V HA 0.309 4.437 4.120 0.013 0.000 0.298 140 V C 0.062 176.143 176.094 -0.021 0.000 1.031 140 V CA -0.778 61.402 62.300 -0.200 0.000 0.871 140 V CB 2.137 33.658 31.823 -0.504 0.000 0.988 140 V HN 0.310 nan 8.190 nan 0.000 0.432 141 V N 6.192 126.079 119.914 -0.045 0.000 2.370 141 V HA 0.431 4.559 4.120 0.013 0.000 0.279 141 V C 0.327 176.365 176.094 -0.093 0.000 1.029 141 V CA -0.304 61.980 62.300 -0.028 0.000 0.870 141 V CB 1.338 33.074 31.823 -0.145 0.000 0.984 141 V HN 0.820 nan 8.190 nan 0.000 0.451 142 M N 2.732 122.295 119.600 -0.062 0.000 2.159 142 M HA 0.385 4.873 4.480 0.013 0.000 0.293 142 M C 0.128 176.325 176.300 -0.171 0.000 1.186 142 M CA -0.059 55.136 55.300 -0.174 0.000 1.073 142 M CB 0.856 33.389 32.600 -0.111 0.000 1.419 142 M HN 0.468 nan 8.290 nan 0.000 0.490 143 T N 1.946 116.365 114.554 -0.225 0.000 2.842 143 T HA 0.347 4.705 4.350 0.013 0.000 0.308 143 T C -0.689 174.083 174.700 0.119 0.000 1.041 143 T CA -0.820 61.246 62.100 -0.057 0.000 0.964 143 T CB 0.019 68.839 68.868 -0.080 0.000 0.972 143 T HN 0.461 nan 8.240 nan 0.000 0.460 144 N N 3.333 122.123 118.700 0.151 0.000 2.476 144 N HA 0.204 4.952 4.740 0.013 0.000 0.257 144 N C -1.244 174.318 175.510 0.088 0.000 0.970 144 N CA -0.571 52.635 53.050 0.261 0.000 0.938 144 N CB 1.923 40.559 38.487 0.248 0.000 1.144 144 N HN 0.532 nan 8.380 nan 0.000 0.500 145 D N 2.976 123.471 120.400 0.159 0.000 2.412 145 D HA 0.204 4.852 4.640 0.013 0.000 0.224 145 D C -1.500 174.743 176.300 -0.094 0.000 1.093 145 D CA -2.194 51.856 54.000 0.083 0.000 0.850 145 D CB 1.495 42.432 40.800 0.228 0.000 1.046 145 D HN 0.246 nan 8.370 nan 0.000 0.507 146 P HA -0.061 nan 4.420 nan 0.000 0.239 146 P C 0.677 177.614 177.300 -0.605 0.000 1.184 146 P CA 0.400 62.926 63.100 -0.957 0.000 0.760 146 P CB -0.036 30.415 31.700 -2.082 0.000 0.884 147 F N 0.064 120.021 119.950 0.013 0.000 2.776 147 F HA 0.180 4.715 4.527 0.013 0.000 0.300 147 F C 0.957 176.879 175.800 0.202 0.000 1.116 147 F CA -0.230 57.909 58.000 0.232 0.000 1.375 147 F CB -0.359 38.770 39.000 0.214 0.000 1.109 147 F HN -0.104 nan 8.300 nan 0.000 0.585 148 D N -0.005 120.542 120.400 0.246 0.000 2.249 148 D HA 0.061 4.709 4.640 0.013 0.000 0.246 148 D C 0.882 177.278 176.300 0.161 0.000 1.114 148 D CA -0.057 54.064 54.000 0.202 0.000 0.854 148 D CB 0.766 41.670 40.800 0.174 0.000 1.132 148 D HN -0.091 nan 8.370 nan 0.000 0.461 149 D N 2.911 123.411 120.400 0.168 0.000 2.123 149 D HA -0.184 4.464 4.640 0.013 0.000 0.196 149 D C 1.284 177.636 176.300 0.086 0.000 0.992 149 D CA 0.922 55.009 54.000 0.145 0.000 0.833 149 D CB 0.034 40.917 40.800 0.139 0.000 0.954 149 D HN 0.488 nan 8.370 nan 0.000 0.455 150 N N 1.031 119.766 118.700 0.059 0.000 2.120 150 N HA -0.133 4.615 4.740 0.013 0.000 0.188 150 N C 1.645 177.142 175.510 -0.022 0.000 1.024 150 N CA 0.808 53.862 53.050 0.007 0.000 0.852 150 N CB -0.125 38.356 38.487 -0.009 0.000 1.003 150 N HN 0.476 nan 8.380 nan 0.000 0.424 151 E N 0.768 120.981 120.200 0.021 0.000 2.107 151 E HA -0.030 4.328 4.350 0.013 0.000 0.191 151 E C 1.980 178.671 176.600 0.151 0.000 0.982 151 E CA 0.370 56.806 56.400 0.061 0.000 0.809 151 E CB -0.048 29.749 29.700 0.163 0.000 0.756 151 E HN 0.304 nan 8.360 nan 0.000 0.459 152 R N 0.744 121.321 120.500 0.129 0.000 2.127 152 R HA -0.141 4.207 4.340 0.013 0.000 0.238 152 R C 2.356 178.749 176.300 0.154 0.000 1.134 152 R CA 0.995 57.213 56.100 0.196 0.000 0.975 152 R CB -0.438 29.923 30.300 0.101 0.000 0.865 152 R HN 0.201 nan 8.270 nan 0.000 0.447 153 I N 0.770 121.354 120.570 0.023 0.000 2.053 153 I HA -0.424 3.754 4.170 0.013 0.000 0.236 153 I C 2.675 178.688 176.117 -0.173 0.000 1.038 153 I CA 2.049 63.310 61.300 -0.065 0.000 1.304 153 I CB -0.792 37.148 38.000 -0.100 0.000 1.023 153 I HN 0.286 nan 8.210 nan 0.000 0.395 154 S N 0.148 115.611 115.700 -0.396 0.000 2.365 154 S HA -0.259 4.219 4.470 0.013 0.000 0.225 154 S C 1.753 176.010 174.600 -0.572 0.000 1.039 154 S CA 1.510 59.274 58.200 -0.727 0.000 1.033 154 S CB -1.280 60.945 63.200 -1.626 0.000 0.887 154 S HN 0.554 nan 8.310 nan 0.000 0.447 155 W N 1.526 122.716 121.300 -0.182 0.000 2.379 155 W HA 0.214 4.881 4.660 0.013 0.000 0.307 155 W C 2.400 178.867 176.519 -0.087 0.000 1.200 155 W CA 0.217 57.545 57.345 -0.028 0.000 1.297 155 W CB -0.432 29.182 29.460 0.256 0.000 1.140 155 W HN 0.239 nan 8.180 nan 0.000 0.507 156 L N 0.151 121.454 121.223 0.134 0.000 2.217 156 L HA -0.123 4.225 4.340 0.013 0.000 0.211 156 L C 2.318 179.162 176.870 -0.043 0.000 1.107 156 L CA 1.192 56.034 54.840 0.003 0.000 0.783 156 L CB -0.654 41.412 42.059 0.012 0.000 0.919 156 L HN 0.110 nan 8.230 nan 0.000 0.442 157 E N 0.352 120.507 120.200 -0.075 0.000 2.347 157 E HA -0.109 4.248 4.350 0.013 0.000 0.196 157 E C 1.421 177.962 176.600 -0.098 0.000 1.008 157 E CA 0.706 57.046 56.400 -0.100 0.000 0.852 157 E CB 0.160 29.771 29.700 -0.149 0.000 0.783 157 E HN 0.453 nan 8.360 nan 0.000 0.505 158 G N 1.318 110.063 108.800 -0.092 0.000 2.159 158 G HA2 -0.260 3.708 3.960 0.013 0.000 0.227 158 G HA3 -0.260 3.708 3.960 0.013 0.000 0.227 158 G C -0.133 174.709 174.900 -0.097 0.000 0.986 158 G CA 0.194 45.255 45.100 -0.065 0.000 0.651 158 G HN 0.206 nan 8.290 nan 0.000 0.523 159 K N 0.436 120.713 120.400 -0.205 0.000 2.355 159 K HA 0.426 4.754 4.320 0.013 0.000 0.270 159 K C 0.138 176.612 176.600 -0.211 0.000 1.003 159 K CA 0.157 56.295 56.287 -0.248 0.000 0.957 159 K CB 0.417 32.655 32.500 -0.436 0.000 0.939 159 K HN 0.136 nan 8.250 nan 0.000 0.482 160 Q N 2.484 122.239 119.800 -0.074 0.000 2.342 160 Q HA 0.367 4.715 4.340 0.013 0.000 0.267 160 Q C -2.272 173.781 176.000 0.088 0.000 1.038 160 Q CA -2.159 53.658 55.803 0.023 0.000 0.832 160 Q CB 1.557 30.325 28.738 0.049 0.000 1.323 160 Q HN 0.474 nan 8.270 nan 0.000 0.448 161 P HA 0.005 nan 4.420 nan 0.000 0.274 161 P C -0.192 177.109 177.300 0.002 0.000 1.246 161 P CA -0.370 62.730 63.100 -0.000 0.000 0.795 161 P CB 0.893 32.540 31.700 -0.089 0.000 1.006 162 D N 0.424 120.800 120.400 -0.040 0.000 2.478 162 D HA -0.081 4.567 4.640 0.013 0.000 0.234 162 D C 1.312 177.666 176.300 0.091 0.000 1.154 162 D CA 0.445 54.480 54.000 0.058 0.000 0.874 162 D CB 0.847 41.725 40.800 0.129 0.000 1.198 162 D HN 0.350 nan 8.370 nan 0.000 0.455 163 S N 3.601 119.324 115.700 0.040 0.000 2.442 163 S HA -0.164 4.314 4.470 0.013 0.000 0.236 163 S C 1.587 176.130 174.600 -0.096 0.000 1.007 163 S CA 0.725 58.910 58.200 -0.026 0.000 0.965 163 S CB -0.066 63.126 63.200 -0.014 0.000 0.773 163 S HN 0.562 nan 8.310 nan 0.000 0.504 164 R N -0.476 120.006 120.500 -0.030 0.000 2.275 164 R HA 0.306 4.654 4.340 0.013 0.000 0.199 164 R C -0.582 175.469 176.300 -0.415 0.000 0.989 164 R CA 0.227 56.227 56.100 -0.168 0.000 1.016 164 R CB -0.018 30.172 30.300 -0.184 0.000 0.918 164 R HN 0.419 nan 8.270 nan 0.000 0.473 165 F N 0.031 119.817 119.950 -0.274 0.000 2.436 165 F HA 0.307 4.842 4.527 0.014 0.000 0.340 165 F C 0.229 175.786 175.800 -0.404 0.000 1.113 165 F CA -0.983 56.868 58.000 -0.248 0.000 1.022 165 F CB 1.266 40.142 39.000 -0.207 0.000 1.128 165 F HN -0.080 nan 8.300 nan 0.000 0.466 166 H N 0.794 119.975 119.070 0.184 0.000 2.569 166 H HA 0.713 5.277 4.556 0.013 0.000 0.357 166 H C -0.499 174.911 175.328 0.138 0.000 1.153 166 H CA -0.984 55.180 56.048 0.193 0.000 1.193 166 H CB 1.535 31.453 29.762 0.259 0.000 1.602 166 H HN 0.732 nan 8.280 nan 0.000 0.523 167 A N 1.416 124.386 122.820 0.249 0.000 2.293 167 A HA 0.772 5.100 4.320 0.013 0.000 0.302 167 A C -0.509 177.032 177.584 -0.071 0.000 1.119 167 A CA -0.115 52.005 52.037 0.139 0.000 0.823 167 A CB 0.270 19.360 19.000 0.149 0.000 1.097 167 A HN 0.800 nan 8.150 nan 0.000 0.491 168 A N 1.406 124.128 122.820 -0.164 0.000 2.402 168 A HA 0.558 4.886 4.320 0.013 0.000 0.291 168 A C -0.987 176.485 177.584 -0.187 0.000 1.051 168 A CA -0.491 51.325 52.037 -0.369 0.000 0.716 168 A CB 0.889 19.506 19.000 -0.638 0.000 1.223 168 A HN 1.438 nan 8.150 nan 0.000 0.425 169 L N 2.620 123.750 121.223 -0.155 0.000 2.363 169 L HA 0.507 4.855 4.340 0.013 0.000 0.286 169 L C 0.453 177.325 176.870 0.004 0.000 1.106 169 L CA -0.038 54.736 54.840 -0.110 0.000 0.859 169 L CB -0.033 41.956 42.059 -0.116 0.000 1.223 169 L HN 0.678 nan 8.230 nan 0.000 0.446 170 R N 4.395 124.914 120.500 0.031 0.000 2.340 170 R HA 0.368 4.716 4.340 0.013 0.000 0.300 170 R C -0.274 176.134 176.300 0.179 0.000 1.069 170 R CA 0.225 56.399 56.100 0.124 0.000 0.984 170 R CB 0.353 30.747 30.300 0.158 0.000 1.003 170 R HN 0.795 nan 8.270 nan 0.000 0.459 171 L N 3.431 124.782 121.223 0.215 0.000 3.122 171 L HA 0.242 4.590 4.340 0.013 0.000 0.274 171 L C 0.351 177.338 176.870 0.195 0.000 1.222 171 L CA -0.258 54.748 54.840 0.278 0.000 1.028 171 L CB 0.533 42.747 42.059 0.258 0.000 1.386 171 L HN 0.627 nan 8.230 nan 0.000 0.578 172 D N 1.554 122.048 120.400 0.156 0.000 2.154 172 D HA -0.191 4.457 4.640 0.013 0.000 0.190 172 D C -0.613 175.678 176.300 -0.015 0.000 1.003 172 D CA 1.713 55.768 54.000 0.090 0.000 0.849 172 D CB -1.153 39.717 40.800 0.115 0.000 0.942 172 D HN 0.219 nan 8.370 nan 0.000 0.446 173 P HA -0.104 nan 4.420 nan 0.000 0.216 173 P C 1.667 178.678 177.300 -0.482 0.000 1.150 173 P CA 0.673 63.517 63.100 -0.427 0.000 0.837 173 P CB 0.042 31.233 31.700 -0.849 0.000 0.786 174 L N -1.462 119.485 121.223 -0.459 0.000 2.027 174 L HA -0.111 4.237 4.340 0.013 0.000 0.206 174 L C 1.960 178.848 176.870 0.031 0.000 1.074 174 L CA 2.002 56.767 54.840 -0.126 0.000 0.745 174 L CB -1.270 40.892 42.059 0.172 0.000 0.898 174 L HN -0.154 nan 8.230 nan 0.000 0.433 175 L N -0.282 120.962 121.223 0.035 0.000 2.131 175 L HA -0.007 4.341 4.340 0.013 0.000 0.206 175 L C 1.854 178.750 176.870 0.045 0.000 1.087 175 L CA 1.201 56.068 54.840 0.045 0.000 0.767 175 L CB -0.881 41.236 42.059 0.097 0.000 0.917 175 L HN 0.354 nan 8.230 nan 0.000 0.441 176 N N -0.728 117.993 118.700 0.035 0.000 2.254 176 N HA 0.056 4.804 4.740 0.013 0.000 0.190 176 N C 0.156 175.679 175.510 0.022 0.000 1.107 176 N CA 0.233 53.309 53.050 0.043 0.000 0.869 176 N CB 0.517 39.038 38.487 0.057 0.000 0.983 176 N HN 0.386 nan 8.380 nan 0.000 0.487 177 E N -0.632 119.563 120.200 -0.010 0.000 3.521 177 E HA 0.070 4.428 4.350 0.013 0.000 0.183 177 E C -0.124 176.449 176.600 -0.044 0.000 0.981 177 E CA -0.206 56.175 56.400 -0.032 0.000 1.349 177 E CB 0.221 29.876 29.700 -0.075 0.000 1.102 177 E HN 0.090 nan 8.360 nan 0.000 0.449 178 Y N 2.132 122.358 120.300 -0.124 0.000 2.151 178 Y HA -0.272 4.286 4.550 0.013 0.000 0.284 178 Y C 2.045 177.867 175.900 -0.131 0.000 1.166 178 Y CA 1.822 59.842 58.100 -0.133 0.000 1.163 178 Y CB 0.354 38.744 38.460 -0.118 0.000 0.974 178 Y HN 0.091 nan 8.280 nan 0.000 0.511 179 E N 0.061 120.203 120.200 -0.098 0.000 2.130 179 E HA -0.250 4.108 4.350 0.013 0.000 0.196 179 E C 1.945 178.419 176.600 -0.212 0.000 0.998 179 E CA 1.827 58.130 56.400 -0.161 0.000 0.806 179 E CB -0.156 29.529 29.700 -0.025 0.000 0.738 179 E HN 0.657 nan 8.360 nan 0.000 0.459 180 Q N -1.006 118.709 119.800 -0.142 0.000 2.226 180 Q HA 0.070 4.418 4.340 0.013 0.000 0.199 180 Q C 2.183 178.087 176.000 -0.160 0.000 0.945 180 Q CA 1.177 56.947 55.803 -0.055 0.000 0.861 180 Q CB -0.302 28.417 28.738 -0.032 0.000 0.953 180 Q HN 0.094 nan 8.270 nan 0.000 0.490 181 T N 2.147 116.543 114.554 -0.264 0.000 2.833 181 T HA -0.171 4.187 4.350 0.013 0.000 0.269 181 T C 1.542 176.014 174.700 -0.380 0.000 1.054 181 T CA 1.567 63.484 62.100 -0.306 0.000 1.135 181 T CB -0.210 68.431 68.868 -0.377 0.000 0.869 181 T HN 0.437 nan 8.240 nan 0.000 0.466 182 K N 0.959 120.960 120.400 -0.666 0.000 2.113 182 K HA -0.226 4.102 4.320 0.013 0.000 0.208 182 K C 1.881 178.208 176.600 -0.456 0.000 1.047 182 K CA 1.709 57.560 56.287 -0.727 0.000 0.928 182 K CB -0.587 31.256 32.500 -1.096 0.000 0.716 182 K HN 0.399 nan 8.250 nan 0.000 0.446 183 H N 1.171 120.087 119.070 -0.256 0.000 2.387 183 H HA 0.016 4.580 4.556 0.013 0.000 0.299 183 H C 2.185 177.358 175.328 -0.258 0.000 1.090 183 H CA 1.411 57.341 56.048 -0.198 0.000 1.332 183 H CB -0.077 29.586 29.762 -0.165 0.000 1.386 183 H HN 0.339 nan 8.280 nan 0.000 0.516 184 R N 0.219 120.561 120.500 -0.264 0.000 2.090 184 R HA 0.004 4.352 4.340 0.013 0.000 0.228 184 R C 2.595 178.433 176.300 -0.769 0.000 1.110 184 R CA 0.465 56.184 56.100 -0.636 0.000 0.973 184 R CB -0.103 29.760 30.300 -0.728 0.000 0.869 184 R HN 0.208 nan 8.270 nan 0.000 0.440 185 L N 0.360 121.396 121.223 -0.312 0.000 2.046 185 L HA -0.183 4.165 4.340 0.013 0.000 0.208 185 L C 2.563 179.550 176.870 0.196 0.000 1.077 185 L CA 1.515 56.405 54.840 0.084 0.000 0.747 185 L CB -0.395 41.696 42.059 0.053 0.000 0.896 185 L HN 0.173 nan 8.230 nan 0.000 0.432 186 R N -0.007 120.517 120.500 0.040 0.000 2.083 186 R HA -0.170 4.178 4.340 0.013 0.000 0.237 186 R C 1.886 178.219 176.300 0.055 0.000 1.137 186 R CA 1.659 57.800 56.100 0.068 0.000 0.951 186 R CB -0.407 29.913 30.300 0.034 0.000 0.851 186 R HN 0.345 nan 8.270 nan 0.000 0.434 187 D N -0.664 119.705 120.400 -0.051 0.000 2.263 187 D HA -0.178 4.470 4.640 0.013 0.000 0.208 187 D C 1.230 177.598 176.300 0.113 0.000 0.971 187 D CA 0.849 54.822 54.000 -0.046 0.000 0.867 187 D CB -0.068 40.624 40.800 -0.181 0.000 0.929 187 D HN 0.353 nan 8.370 nan 0.000 0.492 188 W N -0.009 121.402 121.300 0.185 0.000 3.290 188 W HA 0.348 5.016 4.660 0.013 0.000 0.287 188 W C 1.487 178.037 176.519 0.052 0.000 1.288 188 W CA 0.670 58.143 57.345 0.213 0.000 1.725 188 W CB -0.180 29.542 29.460 0.436 0.000 1.103 188 W HN 0.123 nan 8.180 nan 0.000 0.670 189 G N -0.722 108.185 108.800 0.178 0.000 2.201 189 G HA2 -0.275 3.693 3.960 0.013 0.000 0.212 189 G HA3 -0.275 3.693 3.960 0.013 0.000 0.212 189 G C -0.331 174.463 174.900 -0.177 0.000 0.994 189 G CA -0.520 44.543 45.100 -0.062 0.000 0.644 189 G HN 0.173 nan 8.290 nan 0.000 0.508 190 Y N 2.031 122.466 120.300 0.225 0.000 2.504 190 Y HA 0.453 5.011 4.550 0.013 0.000 0.351 190 Y C 1.215 177.191 175.900 0.127 0.000 0.988 190 Y CA -0.297 57.921 58.100 0.198 0.000 1.239 190 Y CB 0.767 39.393 38.460 0.277 0.000 1.128 190 Y HN 0.022 nan 8.280 nan 0.000 0.525 191 K N 3.626 124.127 120.400 0.169 0.000 2.408 191 K HA 0.132 4.460 4.320 0.013 0.000 0.231 191 K C -0.272 176.393 176.600 0.109 0.000 1.261 191 K CA -0.287 56.066 56.287 0.111 0.000 1.193 191 K CB -0.554 31.985 32.500 0.064 0.000 1.431 191 K HN 0.475 nan 8.250 nan 0.000 0.243 192 V N -0.719 119.275 119.914 0.133 0.000 2.583 192 V HA 0.177 4.305 4.120 0.013 0.000 0.287 192 V C 0.318 176.466 176.094 0.090 0.000 1.051 192 V CA -0.994 61.384 62.300 0.129 0.000 1.010 192 V CB 0.759 32.711 31.823 0.215 0.000 0.988 192 V HN 0.314 nan 8.190 nan 0.000 0.478 193 N N 2.883 121.631 118.700 0.081 0.000 2.405 193 N HA 0.257 5.005 4.740 0.013 0.000 0.269 193 N C 0.562 176.135 175.510 0.105 0.000 1.249 193 N CA -0.455 52.638 53.050 0.071 0.000 0.974 193 N CB 0.791 39.305 38.487 0.044 0.000 1.204 193 N HN 0.731 nan 8.380 nan 0.000 0.565 194 D N 0.148 120.600 120.400 0.087 0.000 2.183 194 D HA -0.054 4.594 4.640 0.013 0.000 0.203 194 D C -0.123 176.263 176.300 0.143 0.000 0.969 194 D CA 1.319 55.377 54.000 0.097 0.000 0.842 194 D CB 0.308 41.153 40.800 0.074 0.000 0.957 194 D HN 0.453 nan 8.370 nan 0.000 0.484 195 E N -0.147 120.133 120.200 0.133 0.000 2.248 195 E HA 0.087 4.445 4.350 0.013 0.000 0.272 195 E C -0.158 176.574 176.600 0.221 0.000 1.008 195 E CA -0.633 55.864 56.400 0.161 0.000 0.856 195 E CB 1.165 30.927 29.700 0.103 0.000 1.120 195 E HN 0.174 nan 8.360 nan 0.000 0.397 196 W N 5.043 126.371 121.300 0.046 0.000 2.430 196 W HA 0.048 4.716 4.660 0.013 0.000 0.380 196 W C -0.844 175.692 176.519 0.028 0.000 1.045 196 W CA -0.210 57.155 57.345 0.033 0.000 1.547 196 W CB -0.137 29.325 29.460 0.003 0.000 1.554 196 W HN 0.524 nan 8.180 nan 0.000 0.378 197 N N 1.007 119.539 118.700 -0.280 0.000 2.966 197 N HA 0.151 4.899 4.740 0.013 0.000 0.314 197 N C 0.647 175.943 175.510 -0.357 0.000 1.397 197 N CA -0.564 52.344 53.050 -0.236 0.000 0.776 197 N CB 0.274 38.704 38.487 -0.094 0.000 1.576 197 N HN 0.106 nan 8.380 nan 0.000 0.592 198 E N -0.444 119.633 120.200 -0.206 0.000 2.114 198 E HA -0.127 4.231 4.350 0.013 0.000 0.199 198 E C 1.677 178.170 176.600 -0.179 0.000 1.008 198 E CA 2.283 58.578 56.400 -0.174 0.000 0.810 198 E CB -0.936 28.712 29.700 -0.087 0.000 0.739 198 E HN 0.748 nan 8.360 nan 0.000 0.456 199 G N -0.766 107.947 108.800 -0.144 0.000 2.421 199 G HA2 -0.254 3.714 3.960 0.013 0.000 0.216 199 G HA3 -0.254 3.714 3.960 0.013 0.000 0.216 199 G C 1.824 176.642 174.900 -0.136 0.000 1.171 199 G CA 0.970 46.011 45.100 -0.099 0.000 0.775 199 G HN 0.334 nan 8.290 nan 0.000 0.543 200 S N 0.570 116.126 115.700 -0.241 0.000 2.368 200 S HA -0.050 4.428 4.470 0.013 0.000 0.225 200 S C 2.278 176.585 174.600 -0.489 0.000 1.030 200 S CA 0.913 58.934 58.200 -0.298 0.000 0.999 200 S CB -0.228 62.746 63.200 -0.377 0.000 0.844 200 S HN 0.374 nan 8.310 nan 0.000 0.459 201 I N 1.573 121.702 120.570 -0.735 0.000 2.127 201 I HA -0.224 3.953 4.170 0.013 0.000 0.241 201 I C 2.709 178.734 176.117 -0.154 0.000 1.075 201 I CA 1.129 62.108 61.300 -0.536 0.000 1.334 201 I CB -0.355 37.391 38.000 -0.423 0.000 1.040 201 I HN 0.242 nan 8.210 nan 0.000 0.405 202 Q N 0.415 120.152 119.800 -0.104 0.000 2.124 202 Q HA -0.183 4.165 4.340 0.013 0.000 0.202 202 Q C 2.084 178.131 176.000 0.079 0.000 0.977 202 Q CA 1.286 57.090 55.803 0.002 0.000 0.850 202 Q CB -0.332 28.406 28.738 0.001 0.000 0.901 202 Q HN 0.509 nan 8.270 nan 0.000 0.429 203 E N -0.032 120.223 120.200 0.092 0.000 2.152 203 E HA -0.063 4.295 4.350 0.013 0.000 0.192 203 E C 2.157 178.923 176.600 0.277 0.000 0.983 203 E CA 0.480 57.019 56.400 0.230 0.000 0.818 203 E CB 0.068 29.907 29.700 0.233 0.000 0.758 203 E HN 0.136 nan 8.360 nan 0.000 0.467 204 V N 1.540 121.572 119.914 0.198 0.000 2.453 204 V HA -0.203 3.925 4.120 0.013 0.000 0.247 204 V C 2.251 178.486 176.094 0.236 0.000 1.048 204 V CA 1.457 63.901 62.300 0.240 0.000 1.049 204 V CB -0.320 31.676 31.823 0.288 0.000 0.672 204 V HN 0.184 nan 8.190 nan 0.000 0.457 205 K N -0.200 120.303 120.400 0.172 0.000 2.057 205 K HA -0.161 4.167 4.320 0.013 0.000 0.207 205 K C 2.438 179.125 176.600 0.145 0.000 1.049 205 K CA 1.303 57.673 56.287 0.138 0.000 0.931 205 K CB -0.239 32.323 32.500 0.103 0.000 0.714 205 K HN 0.296 nan 8.250 nan 0.000 0.440 206 R N 0.074 120.689 120.500 0.192 0.000 2.083 206 R HA -0.164 4.184 4.340 0.013 0.000 0.237 206 R C 2.262 178.698 176.300 0.226 0.000 1.137 206 R CA 1.669 57.912 56.100 0.238 0.000 0.951 206 R CB -0.365 30.152 30.300 0.361 0.000 0.851 206 R HN 0.174 nan 8.270 nan 0.000 0.434 207 F N 1.386 121.305 119.950 -0.052 0.000 2.095 207 F HA -0.207 4.328 4.527 0.013 0.000 0.298 207 F C 1.881 177.663 175.800 -0.029 0.000 1.104 207 F CA 1.510 59.268 58.000 -0.404 0.000 1.232 207 F CB -0.269 38.379 39.000 -0.588 0.000 0.987 207 F HN -0.053 nan 8.300 nan 0.000 0.475 208 L N -0.647 120.613 121.223 0.061 0.000 2.017 208 L HA -0.226 4.122 4.340 0.013 0.000 0.208 208 L C 2.382 179.179 176.870 -0.122 0.000 1.073 208 L CA 1.842 56.666 54.840 -0.027 0.000 0.745 208 L CB -1.323 40.767 42.059 0.052 0.000 0.894 208 L HN 0.126 nan 8.230 nan 0.000 0.432 209 T N -0.865 113.637 114.554 -0.087 0.000 2.746 209 T HA -0.176 4.182 4.350 0.013 0.000 0.267 209 T C 1.453 176.065 174.700 -0.148 0.000 1.039 209 T CA 1.501 63.525 62.100 -0.127 0.000 1.142 209 T CB -0.256 68.605 68.868 -0.011 0.000 0.866 209 T HN 0.307 nan 8.240 nan 0.000 0.444 210 D N 0.093 120.399 120.400 -0.156 0.000 2.117 210 D HA -0.077 4.571 4.640 0.013 0.000 0.197 210 D C 1.685 177.717 176.300 -0.447 0.000 0.987 210 D CA 0.963 54.801 54.000 -0.270 0.000 0.829 210 D CB -0.321 40.321 40.800 -0.263 0.000 0.961 210 D HN 0.559 nan 8.370 nan 0.000 0.460 211 W N 0.821 121.865 121.300 -0.427 0.000 2.467 211 W HA 0.124 4.792 4.660 0.013 0.000 0.275 211 W C 2.321 178.613 176.519 -0.378 0.000 1.239 211 W CA -0.017 57.045 57.345 -0.473 0.000 1.266 211 W CB -0.248 28.815 29.460 -0.662 0.000 1.112 211 W HN -0.077 nan 8.180 nan 0.000 0.576 212 I N 0.061 120.547 120.570 -0.141 0.000 2.252 212 I HA -0.281 3.897 4.170 0.013 0.000 0.245 212 I C 2.458 178.492 176.117 -0.139 0.000 1.102 212 I CA 1.590 62.788 61.300 -0.170 0.000 1.385 212 I CB -0.471 37.353 38.000 -0.293 0.000 1.064 212 I HN 0.035 nan 8.210 nan 0.000 0.414 213 E N 1.168 121.281 120.200 -0.146 0.000 2.106 213 E HA -0.269 4.089 4.350 0.013 0.000 0.192 213 E C 2.383 178.924 176.600 -0.097 0.000 0.984 213 E CA 1.085 57.427 56.400 -0.097 0.000 0.806 213 E CB 0.048 29.689 29.700 -0.098 0.000 0.750 213 E HN 0.305 nan 8.360 nan 0.000 0.458 214 R N -0.434 119.961 120.500 -0.175 0.000 2.073 214 R HA -0.019 4.329 4.340 0.013 0.000 0.229 214 R C 2.233 178.510 176.300 -0.038 0.000 1.120 214 R CA 1.395 57.411 56.100 -0.141 0.000 0.967 214 R CB 0.049 30.129 30.300 -0.367 0.000 0.862 214 R HN 0.242 nan 8.270 nan 0.000 0.436 215 M N -0.528 118.959 119.600 -0.187 0.000 2.486 215 M HA 0.027 4.515 4.480 0.013 0.000 0.264 215 M C -0.013 176.259 176.300 -0.047 0.000 1.125 215 M CA 0.419 55.524 55.300 -0.325 0.000 1.144 215 M CB 0.346 32.579 32.600 -0.611 0.000 1.353 215 M HN 0.013 nan 8.290 nan 0.000 0.466 216 D N 1.631 122.010 120.400 -0.035 0.000 2.737 216 D HA -0.090 4.558 4.640 0.013 0.000 0.238 216 D C -2.325 173.994 176.300 0.032 0.000 1.157 216 D CA 0.083 54.095 54.000 0.021 0.000 0.694 216 D CB -0.276 40.571 40.800 0.078 0.000 1.021 216 D HN 0.183 nan 8.370 nan 0.000 0.420 217 P HA 0.080 nan 4.420 nan 0.000 0.275 217 P C 1.352 178.642 177.300 -0.017 0.000 1.228 217 P CA -0.239 62.829 63.100 -0.053 0.000 0.786 217 P CB 1.378 33.004 31.700 -0.124 0.000 0.927 218 V N -0.343 119.548 119.914 -0.038 0.000 3.041 218 V HA 0.062 4.190 4.120 0.013 0.000 0.260 218 V C 0.441 176.579 176.094 0.073 0.000 1.105 218 V CA 0.950 63.267 62.300 0.029 0.000 1.125 218 V CB -1.918 29.967 31.823 0.103 0.000 0.730 218 V HN 0.678 nan 8.190 nan 0.000 0.479 219 Y N -3.500 116.814 120.300 0.023 0.000 2.732 219 Y HA 0.731 5.289 4.550 0.013 0.000 0.342 219 Y C -1.145 174.764 175.900 0.015 0.000 1.203 219 Y CA -2.430 55.673 58.100 0.005 0.000 1.092 219 Y CB 0.702 39.164 38.460 0.005 0.000 1.345 219 Y HN -0.046 nan 8.280 nan 0.000 0.458 220 M N 2.393 122.195 119.600 0.337 0.000 2.404 220 M HA 0.854 5.342 4.480 0.013 0.000 0.338 220 M C -0.465 176.098 176.300 0.437 0.000 1.150 220 M CA -0.732 54.730 55.300 0.269 0.000 1.016 220 M CB 2.027 34.725 32.600 0.164 0.000 1.672 220 M HN 0.943 nan 8.290 nan 0.000 0.448 221 A N 2.179 125.194 122.820 0.324 0.000 2.527 221 A HA 0.959 5.287 4.320 0.013 0.000 0.293 221 A C -1.624 176.051 177.584 0.153 0.000 1.117 221 A CA -0.762 51.397 52.037 0.204 0.000 0.723 221 A CB 2.153 21.271 19.000 0.196 0.000 1.313 221 A HN 0.665 nan 8.150 nan 0.000 0.411 222 V N 0.604 120.522 119.914 0.006 0.000 3.000 222 V HA 0.657 4.785 4.120 0.013 0.000 0.300 222 V C -0.668 175.374 176.094 -0.086 0.000 1.251 222 V CA 0.152 62.465 62.300 0.021 0.000 0.972 222 V CB 2.479 34.356 31.823 0.091 0.000 1.065 222 V HN 1.750 nan 8.190 nan 0.000 0.431 223 S N 6.749 122.456 115.700 0.010 0.000 2.489 223 S HA 0.877 5.355 4.470 0.013 0.000 0.291 223 S C -0.828 173.798 174.600 0.044 0.000 1.151 223 S CA -0.661 57.570 58.200 0.052 0.000 1.082 223 S CB 1.349 64.703 63.200 0.256 0.000 1.019 223 S HN 0.740 nan 8.310 nan 0.000 0.492 224 L N 2.915 124.142 121.223 0.007 0.000 2.341 224 L HA 0.662 5.010 4.340 0.013 0.000 0.267 224 L C -2.318 174.609 176.870 0.095 0.000 1.009 224 L CA -2.736 52.093 54.840 -0.020 0.000 0.819 224 L CB 2.496 44.357 42.059 -0.329 0.000 1.323 224 L HN 0.490 nan 8.230 nan 0.000 0.425 225 P HA 0.212 nan 4.420 nan 0.000 0.276 225 P C -2.477 174.906 177.300 0.138 0.000 1.252 225 P CA -1.611 61.567 63.100 0.131 0.000 0.802 225 P CB 0.572 32.348 31.700 0.127 0.000 1.035 226 P HA -0.103 nan 4.420 nan 0.000 0.219 226 P C 1.264 178.617 177.300 0.088 0.000 1.146 226 P CA 1.906 65.043 63.100 0.063 0.000 0.808 226 P CB -0.579 31.121 31.700 0.000 0.000 0.779 227 T N -4.871 109.740 114.554 0.095 0.000 3.194 227 T HA 0.045 4.403 4.350 0.013 0.000 0.251 227 T C 0.360 175.122 174.700 0.103 0.000 1.132 227 T CA -0.490 61.655 62.100 0.075 0.000 1.028 227 T CB -1.248 67.651 68.868 0.051 0.000 0.976 227 T HN -0.137 nan 8.240 nan 0.000 0.535 228 F N 3.224 123.190 119.950 0.027 0.000 2.623 228 F HA 0.391 4.926 4.527 0.013 0.000 0.383 228 F C 0.383 176.207 175.800 0.040 0.000 1.077 228 F CA -0.289 57.734 58.000 0.038 0.000 1.268 228 F CB 0.242 39.266 39.000 0.040 0.000 1.053 228 F HN 0.182 nan 8.300 nan 0.000 0.571 229 S N 6.191 121.358 115.700 -0.888 0.000 2.564 229 S HA 0.786 5.264 4.470 0.013 0.000 0.274 229 S C -1.759 172.398 174.600 -0.738 0.000 1.124 229 S CA -0.534 57.251 58.200 -0.692 0.000 0.869 229 S CB 0.973 63.984 63.200 -0.316 0.000 1.105 229 S HN 0.668 nan 8.310 nan 0.000 0.472 230 F N 3.803 123.385 119.950 -0.614 0.000 2.669 230 F HA 0.539 5.074 4.527 0.013 0.000 0.315 230 F C -2.582 172.952 175.800 -0.443 0.000 1.109 230 F CA -1.193 56.542 58.000 -0.442 0.000 1.028 230 F CB 1.735 40.535 39.000 -0.333 0.000 1.287 230 F HN 0.481 nan 8.300 nan 0.000 0.452 231 P HA 0.232 nan 4.420 nan 0.000 0.272 231 P C -1.538 175.305 177.300 -0.761 0.000 1.240 231 P CA 0.006 62.210 63.100 -1.493 0.000 0.791 231 P CB 1.565 32.637 31.700 -1.046 0.000 0.978 232 E N -0.049 119.766 120.200 -0.641 0.000 2.388 232 E HA 0.101 4.459 4.350 0.013 0.000 0.289 232 E C -0.874 175.565 176.600 -0.268 0.000 0.944 232 E CA -0.399 55.791 56.400 -0.350 0.000 0.792 232 E CB 1.190 30.730 29.700 -0.267 0.000 1.239 232 E HN 0.230 nan 8.360 nan 0.000 0.412 233 E N 2.358 122.439 120.200 -0.197 0.000 2.148 233 E HA 0.141 4.499 4.350 0.013 0.000 0.308 233 E C -0.634 175.880 176.600 -0.144 0.000 1.278 233 E CA 0.100 56.406 56.400 -0.157 0.000 1.368 233 E CB 0.217 29.852 29.700 -0.109 0.000 1.229 233 E HN 0.463 nan 8.360 nan 0.000 0.494 234 S N -0.440 115.156 115.700 -0.174 0.000 2.697 234 S HA 0.347 4.825 4.470 0.013 0.000 0.289 234 S C 0.820 175.271 174.600 -0.248 0.000 1.149 234 S CA -0.839 57.269 58.200 -0.154 0.000 0.850 234 S CB 1.171 64.310 63.200 -0.101 0.000 1.151 234 S HN 0.188 nan 8.310 nan 0.000 0.491 235 N N 0.484 119.046 118.700 -0.231 0.000 2.084 235 N HA -0.110 4.638 4.740 0.013 0.000 0.190 235 N C 2.041 177.311 175.510 -0.400 0.000 1.030 235 N CA 1.140 53.949 53.050 -0.402 0.000 0.849 235 N CB -0.235 38.132 38.487 -0.200 0.000 1.012 235 N HN 0.582 nan 8.380 nan 0.000 0.423 236 R N 0.855 121.252 120.500 -0.171 0.000 2.070 236 R HA -0.112 4.236 4.340 0.013 0.000 0.233 236 R C 2.282 178.576 176.300 -0.010 0.000 1.137 236 R CA 1.768 57.838 56.100 -0.050 0.000 0.945 236 R CB -0.609 29.747 30.300 0.092 0.000 0.845 236 R HN 0.256 nan 8.270 nan 0.000 0.430 237 G N 0.614 109.400 108.800 -0.024 0.000 2.440 237 G HA2 -0.264 3.704 3.960 0.013 0.000 0.218 237 G HA3 -0.264 3.704 3.960 0.013 0.000 0.218 237 G C 1.505 176.372 174.900 -0.055 0.000 1.154 237 G CA 0.671 45.775 45.100 0.007 0.000 0.767 237 G HN 0.341 nan 8.290 nan 0.000 0.552 238 R N -0.272 120.059 120.500 -0.282 0.000 2.073 238 R HA 0.140 4.488 4.340 0.013 0.000 0.229 238 R C 2.611 178.725 176.300 -0.309 0.000 1.120 238 R CA 0.874 56.737 56.100 -0.395 0.000 0.967 238 R CB -0.336 29.401 30.300 -0.939 0.000 0.862 238 R HN 0.375 nan 8.270 nan 0.000 0.436 239 I N 0.729 121.023 120.570 -0.460 0.000 2.226 239 I HA -0.274 3.904 4.170 0.013 0.000 0.245 239 I C 2.270 178.376 176.117 -0.019 0.000 1.100 239 I CA 1.341 62.512 61.300 -0.215 0.000 1.374 239 I CB -0.227 37.598 38.000 -0.292 0.000 1.057 239 I HN 0.127 nan 8.210 nan 0.000 0.413 240 I N 0.326 120.898 120.570 0.002 0.000 2.179 240 I HA -0.303 3.875 4.170 0.013 0.000 0.242 240 I C 2.837 178.961 176.117 0.011 0.000 1.088 240 I CA 1.372 62.665 61.300 -0.011 0.000 1.357 240 I CB -0.440 37.624 38.000 0.107 0.000 1.051 240 I HN 0.222 nan 8.210 nan 0.000 0.409 241 R N 0.907 121.527 120.500 0.200 0.000 2.066 241 R HA -0.169 4.179 4.340 0.013 0.000 0.232 241 R C 1.534 177.943 176.300 0.183 0.000 1.131 241 R CA 1.945 58.190 56.100 0.242 0.000 0.955 241 R CB -0.061 30.431 30.300 0.319 0.000 0.851 241 R HN 0.316 nan 8.270 nan 0.000 0.432 242 D N -1.057 119.472 120.400 0.215 0.000 2.333 242 D HA 0.014 4.662 4.640 0.013 0.000 0.208 242 D C 1.371 177.788 176.300 0.195 0.000 0.984 242 D CA 0.540 54.690 54.000 0.249 0.000 0.873 242 D CB 0.388 41.438 40.800 0.417 0.000 0.935 242 D HN 0.308 nan 8.370 nan 0.000 0.521 243 C N -0.286 119.113 119.300 0.164 0.000 2.605 243 C HA 0.195 4.663 4.460 0.013 0.000 0.364 243 C C 2.324 177.326 174.990 0.019 0.000 1.656 243 C CA -0.408 58.680 59.018 0.117 0.000 2.400 243 C CB -0.334 27.517 27.740 0.185 0.000 2.132 243 C HN 0.195 nan 8.230 nan 0.000 0.668 244 L N 1.840 123.027 121.223 -0.060 0.000 1.955 244 L HA -0.117 4.231 4.340 0.013 0.000 0.213 244 L C 2.270 178.986 176.870 -0.257 0.000 1.072 244 L CA 2.202 56.913 54.840 -0.215 0.000 0.755 244 L CB -1.306 40.504 42.059 -0.416 0.000 0.888 244 L HN 0.409 nan 8.230 nan 0.000 0.432 245 L N -0.258 120.801 121.223 -0.272 0.000 1.989 245 L HA -0.206 4.142 4.340 0.013 0.000 0.211 245 L C 0.020 176.836 176.870 -0.090 0.000 1.071 245 L CA 1.505 56.199 54.840 -0.244 0.000 0.749 245 L CB -2.070 39.789 42.059 -0.332 0.000 0.890 245 L HN 0.238 nan 8.230 nan 0.000 0.431 246 P HA -0.136 nan 4.420 nan 0.000 0.215 246 P C 1.962 179.286 177.300 0.040 0.000 1.153 246 P CA 1.159 64.285 63.100 0.043 0.000 0.853 246 P CB 0.080 31.822 31.700 0.070 0.000 0.788 247 V N -0.075 119.858 119.914 0.031 0.000 2.427 247 V HA -0.207 3.920 4.120 0.013 0.000 0.248 247 V C 2.405 178.554 176.094 0.091 0.000 1.051 247 V CA 2.154 64.502 62.300 0.080 0.000 1.048 247 V CB -1.641 30.195 31.823 0.023 0.000 0.666 247 V HN 0.090 nan 8.190 nan 0.000 0.456 248 A N -0.623 122.179 122.820 -0.030 0.000 1.969 248 A HA -0.235 4.093 4.320 0.013 0.000 0.218 248 A C 2.275 179.842 177.584 -0.028 0.000 1.169 248 A CA 1.824 53.826 52.037 -0.058 0.000 0.635 248 A CB -0.395 18.502 19.000 -0.172 0.000 0.810 248 A HN 0.617 nan 8.150 nan 0.000 0.445 249 E N -0.099 120.086 120.200 -0.026 0.000 2.072 249 E HA -0.205 4.153 4.350 0.013 0.000 0.190 249 E C 2.061 178.656 176.600 -0.008 0.000 0.982 249 E CA 1.301 57.689 56.400 -0.020 0.000 0.803 249 E CB -0.135 29.570 29.700 0.008 0.000 0.755 249 E HN 0.606 nan 8.360 nan 0.000 0.453 250 K N -0.357 120.053 120.400 0.016 0.000 2.032 250 K HA -0.194 4.134 4.320 0.013 0.000 0.209 250 K C 1.453 177.954 176.600 -0.165 0.000 1.048 250 K CA 1.865 58.113 56.287 -0.066 0.000 0.927 250 K CB -0.110 32.351 32.500 -0.064 0.000 0.712 250 K HN 0.238 nan 8.250 nan 0.000 0.441 251 H N -0.379 118.668 119.070 -0.038 0.000 2.539 251 H HA 0.161 4.725 4.556 0.013 0.000 0.269 251 H C -0.199 175.097 175.328 -0.052 0.000 0.980 251 H CA 0.461 56.486 56.048 -0.039 0.000 1.152 251 H CB -0.098 29.644 29.762 -0.034 0.000 1.407 251 H HN 0.358 nan 8.280 nan 0.000 0.564 252 N N 0.921 119.631 118.700 0.017 0.000 2.725 252 N HA -0.161 4.586 4.740 0.013 0.000 0.251 252 N C -1.009 174.468 175.510 -0.056 0.000 1.031 252 N CA -0.301 52.722 53.050 -0.045 0.000 0.720 252 N CB -0.618 37.833 38.487 -0.059 0.000 0.930 252 N HN 0.148 nan 8.380 nan 0.000 0.543 253 I N 1.023 121.572 120.570 -0.035 0.000 2.377 253 I HA 0.409 4.587 4.170 0.013 0.000 0.293 253 I C -1.961 174.114 176.117 -0.070 0.000 0.987 253 I CA -2.070 59.209 61.300 -0.033 0.000 1.185 253 I CB 1.050 39.050 38.000 -0.001 0.000 1.341 253 I HN -0.008 nan 8.210 nan 0.000 0.455 254 P HA 0.138 nan 4.420 nan 0.000 0.274 254 P C -0.785 176.560 177.300 0.075 0.000 1.231 254 P CA -0.135 62.928 63.100 -0.062 0.000 0.790 254 P CB 0.499 32.191 31.700 -0.013 0.000 0.951 255 F N 2.204 122.029 119.950 -0.208 0.000 2.388 255 F HA 0.628 5.163 4.527 0.014 0.000 0.358 255 F C -0.606 175.152 175.800 -0.071 0.000 1.122 255 F CA -1.697 56.220 58.000 -0.138 0.000 1.056 255 F CB 0.284 39.145 39.000 -0.231 0.000 1.155 255 F HN 0.280 nan 8.300 nan 0.000 0.461 256 A N 8.094 130.775 122.820 -0.232 0.000 2.276 256 A HA 0.725 5.053 4.320 0.013 0.000 0.316 256 A C -0.718 176.506 177.584 -0.600 0.000 1.229 256 A CA -0.609 51.160 52.037 -0.447 0.000 0.851 256 A CB 0.324 18.913 19.000 -0.685 0.000 1.165 256 A HN 0.797 nan 8.150 nan 0.000 0.513 257 M N 3.376 122.653 119.600 -0.539 0.000 2.181 257 M HA 0.400 4.888 4.480 0.013 0.000 0.323 257 M C -0.829 175.212 176.300 -0.431 0.000 1.004 257 M CA 0.207 55.164 55.300 -0.571 0.000 0.941 257 M CB 1.748 33.969 32.600 -0.632 0.000 1.579 257 M HN 0.619 nan 8.290 nan 0.000 0.427 258 M N 5.419 124.749 119.600 -0.451 0.000 2.103 258 M HA 0.505 4.993 4.480 0.013 0.000 0.350 258 M C -0.967 175.211 176.300 -0.203 0.000 1.100 258 M CA -0.247 54.678 55.300 -0.625 0.000 1.042 258 M CB 0.429 32.391 32.600 -1.063 0.000 1.368 258 M HN 0.593 nan 8.290 nan 0.000 0.404 259 I N 1.308 121.851 120.570 -0.046 0.000 2.437 259 I HA 0.625 4.803 4.170 0.013 0.000 0.298 259 I C 1.069 177.337 176.117 0.253 0.000 0.984 259 I CA -0.175 61.176 61.300 0.085 0.000 1.214 259 I CB 1.748 39.734 38.000 -0.023 0.000 1.365 259 I HN 0.963 nan 8.210 nan 0.000 0.469 260 G N 3.807 112.712 108.800 0.175 0.000 2.192 260 G HA2 -0.188 3.780 3.960 0.013 0.000 0.193 260 G HA3 -0.188 3.780 3.960 0.013 0.000 0.193 260 G C -0.218 174.685 174.900 0.005 0.000 0.999 260 G CA -0.184 44.965 45.100 0.082 0.000 0.659 260 G HN 0.520 nan 8.290 nan 0.000 0.503 261 V N 1.281 121.251 119.914 0.093 0.000 2.432 261 V HA 0.677 4.805 4.120 0.013 0.000 0.275 261 V C 0.415 176.542 176.094 0.055 0.000 1.043 261 V CA -0.281 62.032 62.300 0.021 0.000 0.925 261 V CB 1.352 33.293 31.823 0.197 0.000 0.985 261 V HN 0.277 nan 8.190 nan 0.000 0.466 262 K N 6.833 127.240 120.400 0.012 0.000 2.299 262 K HA 0.377 4.705 4.320 0.013 0.000 0.268 262 K C -0.236 176.435 176.600 0.120 0.000 1.075 262 K CA -0.726 55.606 56.287 0.074 0.000 0.936 262 K CB 0.412 32.962 32.500 0.083 0.000 1.228 262 K HN 0.573 nan 8.250 nan 0.000 0.454 263 K N 3.146 123.623 120.400 0.128 0.000 2.382 263 K HA 0.028 4.356 4.320 0.013 0.000 0.275 263 K C -0.036 176.637 176.600 0.122 0.000 1.009 263 K CA 0.108 56.480 56.287 0.142 0.000 0.970 263 K CB 0.424 33.004 32.500 0.134 0.000 0.934 263 K HN 0.637 nan 8.250 nan 0.000 0.479 264 R N -0.076 120.501 120.500 0.128 0.000 3.251 264 R HA -0.168 4.180 4.340 0.013 0.000 0.249 264 R C 1.101 177.461 176.300 0.100 0.000 0.949 264 R CA 0.530 56.697 56.100 0.112 0.000 0.645 264 R CB -2.296 28.058 30.300 0.090 0.000 1.065 264 R HN 0.586 nan 8.270 nan 0.000 0.452 265 V N -3.374 116.601 119.914 0.101 0.000 2.871 265 V HA -0.026 4.102 4.120 0.013 0.000 0.256 265 V C 0.923 177.047 176.094 0.049 0.000 1.082 265 V CA 1.449 63.775 62.300 0.043 0.000 1.105 265 V CB -0.124 31.685 31.823 -0.022 0.000 0.713 265 V HN 0.493 nan 8.190 nan 0.000 0.473 266 H N 0.555 119.621 119.070 -0.005 0.000 2.488 266 H HA 0.448 5.011 4.556 0.013 0.000 0.237 266 H C -2.414 172.942 175.328 0.047 0.000 1.395 266 H CA -2.602 53.447 56.048 0.002 0.000 1.491 266 H CB 1.559 31.311 29.762 -0.017 0.000 1.567 266 H HN 0.138 nan 8.280 nan 0.000 0.508 267 P HA -0.190 nan 4.420 nan 0.000 0.216 267 P C 1.383 178.770 177.300 0.145 0.000 1.157 267 P CA 2.285 65.479 63.100 0.157 0.000 0.880 267 P CB 0.198 31.970 31.700 0.119 0.000 0.791 268 A N -1.099 121.851 122.820 0.216 0.000 2.076 268 A HA -0.149 4.179 4.320 0.013 0.000 0.220 268 A C 2.043 179.745 177.584 0.196 0.000 1.160 268 A CA 1.252 53.404 52.037 0.190 0.000 0.653 268 A CB -1.516 17.634 19.000 0.250 0.000 0.801 268 A HN 0.183 nan 8.150 nan 0.000 0.455 269 L N -1.652 119.561 121.223 -0.016 0.000 2.554 269 L HA 0.176 4.524 4.340 0.013 0.000 0.226 269 L C 1.818 178.855 176.870 0.280 0.000 1.137 269 L CA 0.303 55.195 54.840 0.088 0.000 0.863 269 L CB -0.747 41.209 42.059 -0.171 0.000 0.985 269 L HN 0.633 nan 8.230 nan 0.000 0.451 270 G N 0.809 109.688 108.800 0.131 0.000 2.556 270 G HA2 -0.385 3.583 3.960 0.013 0.000 0.283 270 G HA3 -0.385 3.583 3.960 0.013 0.000 0.283 270 G C 0.491 175.408 174.900 0.029 0.000 1.177 270 G CA 0.348 45.462 45.100 0.023 0.000 0.978 270 G HN 0.249 nan 8.290 nan 0.000 0.554 271 D N 1.216 121.604 120.400 -0.020 0.000 2.265 271 D HA 0.123 4.771 4.640 0.013 0.000 0.208 271 D C 2.380 178.475 176.300 -0.342 0.000 0.977 271 D CA 1.598 55.479 54.000 -0.199 0.000 0.871 271 D CB -0.441 40.188 40.800 -0.285 0.000 0.925 271 D HN 0.853 nan 8.370 nan 0.000 0.485 272 A N 0.118 122.921 122.820 -0.029 0.000 2.337 272 A HA 0.351 4.679 4.320 0.013 0.000 0.227 272 A C 1.847 179.520 177.584 0.148 0.000 1.259 272 A CA 0.429 52.559 52.037 0.156 0.000 0.870 272 A CB -0.021 19.131 19.000 0.253 0.000 0.927 272 A HN 0.186 nan 8.150 nan 0.000 0.497 273 G N -0.606 108.265 108.800 0.118 0.000 3.337 273 G HA2 0.245 4.213 3.960 0.013 0.000 0.246 273 G HA3 0.245 4.213 3.960 0.013 0.000 0.246 273 G C -0.431 174.570 174.900 0.168 0.000 1.131 273 G CA -0.177 45.000 45.100 0.128 0.000 0.773 273 G HN 0.315 nan 8.290 nan 0.000 0.544 274 D N 0.041 120.579 120.400 0.230 0.000 2.225 274 D HA 0.478 5.126 4.640 0.013 0.000 0.249 274 D C -0.727 175.687 176.300 0.189 0.000 1.052 274 D CA -0.322 53.809 54.000 0.219 0.000 0.909 274 D CB 2.094 43.079 40.800 0.309 0.000 1.186 274 D HN -0.023 nan 8.370 nan 0.000 0.431 275 F N 1.053 120.950 119.950 -0.089 0.000 2.629 275 F HA 0.631 5.165 4.527 0.013 0.000 0.386 275 F C -0.773 174.891 175.800 -0.226 0.000 1.135 275 F CA -1.238 56.631 58.000 -0.218 0.000 1.116 275 F CB 1.142 40.043 39.000 -0.165 0.000 1.426 275 F HN 0.083 nan 8.300 nan 0.000 0.501 276 V N 0.479 119.751 119.914 -1.069 0.000 3.040 276 V HA 0.943 5.071 4.120 0.013 0.000 0.312 276 V C -0.919 174.672 176.094 -0.837 0.000 1.115 276 V CA -0.027 61.803 62.300 -0.783 0.000 0.998 276 V CB 1.771 33.209 31.823 -0.642 0.000 1.042 276 V HN 1.104 nan 8.190 nan 0.000 0.433 277 G N 2.789 111.338 108.800 -0.418 0.000 2.718 277 G HA2 0.448 4.416 3.960 0.013 0.000 0.295 277 G HA3 0.448 4.416 3.960 0.013 0.000 0.295 277 G C -1.673 173.135 174.900 -0.154 0.000 1.421 277 G CA -0.828 44.103 45.100 -0.282 0.000 0.902 277 G HN 0.881 nan 8.290 nan 0.000 0.501 278 K N 0.582 120.913 120.400 -0.115 0.000 2.298 278 K HA 0.607 4.935 4.320 0.013 0.000 0.280 278 K C 0.292 176.879 176.600 -0.022 0.000 1.032 278 K CA -0.212 56.038 56.287 -0.061 0.000 0.958 278 K CB 0.900 33.369 32.500 -0.052 0.000 0.978 278 K HN 0.630 nan 8.250 nan 0.000 0.472 279 A N 2.545 125.369 122.820 0.006 0.000 2.299 279 A HA 0.364 4.691 4.320 0.013 0.000 0.332 279 A C -0.559 177.046 177.584 0.035 0.000 1.131 279 A CA -0.649 51.411 52.037 0.039 0.000 0.844 279 A CB 1.437 20.487 19.000 0.082 0.000 1.251 279 A HN 0.718 nan 8.150 nan 0.000 0.486 280 S N 0.095 115.820 115.700 0.042 0.000 2.584 280 S HA 0.354 4.832 4.470 0.013 0.000 0.273 280 S C 0.832 175.460 174.600 0.047 0.000 1.311 280 S CA -0.527 57.691 58.200 0.030 0.000 1.034 280 S CB 0.208 63.415 63.200 0.011 0.000 0.939 280 S HN 0.499 nan 8.310 nan 0.000 0.513 281 M N 2.654 122.278 119.600 0.039 0.000 2.556 281 M HA 0.096 4.584 4.480 0.013 0.000 0.245 281 M C 0.802 177.132 176.300 0.049 0.000 1.128 281 M CA 0.364 55.692 55.300 0.046 0.000 1.069 281 M CB -1.374 31.249 32.600 0.038 0.000 1.469 281 M HN 0.599 nan 8.290 nan 0.000 0.494 282 D N 1.107 121.531 120.400 0.040 0.000 2.116 282 D HA -0.142 4.506 4.640 0.013 0.000 0.193 282 D C 2.076 178.413 176.300 0.062 0.000 0.998 282 D CA 1.878 55.905 54.000 0.044 0.000 0.836 282 D CB -0.541 40.269 40.800 0.017 0.000 0.951 282 D HN 0.430 nan 8.370 nan 0.000 0.449 283 G N 0.390 109.206 108.800 0.028 0.000 2.418 283 G HA2 -0.200 3.768 3.960 0.013 0.000 0.217 283 G HA3 -0.200 3.768 3.960 0.013 0.000 0.217 283 G C 1.843 176.813 174.900 0.115 0.000 1.158 283 G CA 0.943 46.070 45.100 0.044 0.000 0.771 283 G HN 0.269 nan 8.290 nan 0.000 0.545 284 V N 0.693 120.659 119.914 0.087 0.000 2.358 284 V HA -0.150 3.978 4.120 0.013 0.000 0.246 284 V C 2.554 178.564 176.094 -0.141 0.000 1.047 284 V CA 2.112 64.385 62.300 -0.045 0.000 1.035 284 V CB -0.366 31.436 31.823 -0.035 0.000 0.658 284 V HN 0.558 nan 8.190 nan 0.000 0.452 285 E N -0.240 119.932 120.200 -0.046 0.000 2.058 285 E HA -0.311 4.047 4.350 0.013 0.000 0.194 285 E C 2.332 178.849 176.600 -0.138 0.000 0.997 285 E CA 1.559 57.916 56.400 -0.072 0.000 0.801 285 E CB -0.258 29.480 29.700 0.064 0.000 0.746 285 E HN 0.740 nan 8.360 nan 0.000 0.450 286 H N 0.865 119.895 119.070 -0.068 0.000 2.353 286 H HA -0.099 4.464 4.556 0.013 0.000 0.300 286 H C 2.313 177.641 175.328 -0.001 0.000 1.090 286 H CA 1.524 57.577 56.048 0.008 0.000 1.327 286 H CB -0.198 29.647 29.762 0.139 0.000 1.383 286 H HN 0.216 nan 8.280 nan 0.000 0.508 287 L N 0.227 121.512 121.223 0.105 0.000 2.017 287 L HA -0.211 4.137 4.340 0.013 0.000 0.208 287 L C 2.993 179.699 176.870 -0.274 0.000 1.073 287 L CA 0.928 55.730 54.840 -0.063 0.000 0.745 287 L CB -0.414 41.327 42.059 -0.530 0.000 0.894 287 L HN 0.216 nan 8.230 nan 0.000 0.432 288 L N -0.712 120.155 121.223 -0.593 0.000 2.046 288 L HA -0.225 4.123 4.340 0.013 0.000 0.208 288 L C 2.827 179.330 176.870 -0.612 0.000 1.077 288 L CA 1.338 55.787 54.840 -0.651 0.000 0.747 288 L CB -0.497 40.977 42.059 -0.976 0.000 0.896 288 L HN 0.259 nan 8.230 nan 0.000 0.432 289 R N -0.055 119.997 120.500 -0.747 0.000 2.075 289 R HA -0.108 4.240 4.340 0.013 0.000 0.226 289 R C 1.981 178.155 176.300 -0.210 0.000 1.114 289 R CA 1.027 56.896 56.100 -0.385 0.000 0.972 289 R CB 0.126 30.297 30.300 -0.215 0.000 0.869 289 R HN 0.235 nan 8.270 nan 0.000 0.437 290 E N -0.292 119.730 120.200 -0.297 0.000 2.435 290 E HA -0.084 4.273 4.350 0.013 0.000 0.195 290 E C -0.192 176.053 176.600 -0.591 0.000 1.029 290 E CA 0.690 56.829 56.400 -0.435 0.000 0.865 290 E CB 0.287 29.622 29.700 -0.609 0.000 0.833 290 E HN 0.426 nan 8.360 nan 0.000 0.510 291 Y N 0.751 121.081 120.300 0.050 0.000 2.495 291 Y HA 0.209 4.767 4.550 0.013 0.000 0.362 291 Y C -1.565 174.432 175.900 0.162 0.000 0.956 291 Y CA -2.013 56.174 58.100 0.144 0.000 1.127 291 Y CB 1.094 39.713 38.460 0.264 0.000 1.173 291 Y HN -0.036 nan 8.280 nan 0.000 0.639 292 P HA -0.143 nan 4.420 nan 0.000 0.222 292 P C 0.066 177.444 177.300 0.130 0.000 1.147 292 P CA 1.417 64.603 63.100 0.143 0.000 0.790 292 P CB 0.381 32.136 31.700 0.090 0.000 0.780 293 N N -1.037 117.732 118.700 0.116 0.000 2.336 293 N HA 0.051 4.799 4.740 0.013 0.000 0.189 293 N C 0.445 175.971 175.510 0.027 0.000 1.113 293 N CA -0.164 52.923 53.050 0.063 0.000 0.858 293 N CB -0.001 38.517 38.487 0.052 0.000 0.970 293 N HN 0.134 nan 8.380 nan 0.000 0.471 294 N N 0.932 119.666 118.700 0.058 0.000 2.430 294 N HA 0.270 5.017 4.740 0.013 0.000 0.298 294 N C -0.747 174.630 175.510 -0.222 0.000 1.130 294 N CA -0.178 52.787 53.050 -0.142 0.000 0.894 294 N CB 1.552 39.904 38.487 -0.224 0.000 1.209 294 N HN -0.035 nan 8.380 nan 0.000 0.503 295 K N 1.175 121.327 120.400 -0.413 0.000 2.221 295 K HA 0.487 4.815 4.320 0.013 0.000 0.258 295 K C -1.167 175.234 176.600 -0.331 0.000 0.944 295 K CA -0.411 55.713 56.287 -0.271 0.000 0.823 295 K CB 1.377 33.547 32.500 -0.550 0.000 1.113 295 K HN 0.345 nan 8.250 nan 0.000 0.431 296 F N 2.468 122.612 119.950 0.323 0.000 2.518 296 F HA 0.400 4.935 4.527 0.013 0.000 0.323 296 F C -0.363 175.538 175.800 0.168 0.000 1.129 296 F CA -0.856 57.263 58.000 0.198 0.000 0.920 296 F CB 1.203 40.255 39.000 0.086 0.000 1.160 296 F HN 0.112 nan 8.300 nan 0.000 0.440 297 L N 4.377 125.707 121.223 0.179 0.000 2.296 297 L HA 0.769 5.117 4.340 0.013 0.000 0.286 297 L C -0.879 176.048 176.870 0.095 0.000 1.023 297 L CA -0.759 54.103 54.840 0.037 0.000 0.812 297 L CB 1.586 43.487 42.059 -0.263 0.000 1.223 297 L HN 0.362 nan 8.230 nan 0.000 0.421 298 V N 1.967 121.952 119.914 0.119 0.000 2.841 298 V HA 0.627 4.755 4.120 0.013 0.000 0.310 298 V C -0.373 175.468 176.094 -0.422 0.000 1.090 298 V CA -0.491 61.750 62.300 -0.098 0.000 0.930 298 V CB 2.345 34.099 31.823 -0.114 0.000 1.014 298 V HN 0.740 nan 8.190 nan 0.000 0.425 299 T N 5.144 119.327 114.554 -0.619 0.000 2.933 299 T HA 0.726 5.084 4.350 0.013 0.000 0.305 299 T C -1.074 173.464 174.700 -0.270 0.000 1.092 299 T CA -0.390 61.292 62.100 -0.695 0.000 1.008 299 T CB 1.279 69.352 68.868 -1.325 0.000 1.102 299 T HN 0.554 nan 8.240 nan 0.000 0.469 300 M N 4.202 123.781 119.600 -0.034 0.000 2.535 300 M HA 0.461 4.949 4.480 0.013 0.000 0.314 300 M C 0.151 176.624 176.300 0.289 0.000 1.153 300 M CA -0.868 54.517 55.300 0.142 0.000 0.924 300 M CB 2.233 34.855 32.600 0.038 0.000 1.710 300 M HN 0.496 nan 8.290 nan 0.000 0.451 301 L N 0.761 122.155 121.223 0.284 0.000 2.209 301 L HA 0.201 4.549 4.340 0.013 0.000 0.207 301 L C 0.967 177.820 176.870 -0.029 0.000 1.094 301 L CA 1.274 56.143 54.840 0.048 0.000 0.790 301 L CB 0.185 42.111 42.059 -0.222 0.000 0.932 301 L HN 0.695 nan 8.230 nan 0.000 0.447 302 S N -0.579 115.103 115.700 -0.031 0.000 2.523 302 S HA 0.095 4.573 4.470 0.013 0.000 0.275 302 S C 1.443 176.022 174.600 -0.035 0.000 1.281 302 S CA -0.417 57.741 58.200 -0.070 0.000 1.050 302 S CB 0.681 63.832 63.200 -0.080 0.000 0.937 302 S HN 0.372 nan 8.310 nan 0.000 0.492 303 R N 2.590 123.063 120.500 -0.046 0.000 2.120 303 R HA -0.087 4.260 4.340 0.013 0.000 0.234 303 R C 0.785 177.075 176.300 -0.018 0.000 1.123 303 R CA 1.690 57.776 56.100 -0.023 0.000 0.975 303 R CB -0.120 30.161 30.300 -0.032 0.000 0.866 303 R HN 0.637 nan 8.270 nan 0.000 0.446 304 E N -0.308 119.874 120.200 -0.030 0.000 2.511 304 E HA -0.036 4.322 4.350 0.013 0.000 0.196 304 E C 0.650 177.250 176.600 -0.001 0.000 1.066 304 E CA 0.689 57.077 56.400 -0.019 0.000 0.871 304 E CB 0.043 29.723 29.700 -0.033 0.000 0.863 304 E HN 0.475 nan 8.360 nan 0.000 0.520 305 N N -0.661 118.039 118.700 -0.001 0.000 2.322 305 N HA -0.026 4.722 4.740 0.013 0.000 0.181 305 N C 1.243 176.756 175.510 0.004 0.000 1.088 305 N CA -0.147 52.906 53.050 0.006 0.000 0.885 305 N CB 0.373 38.862 38.487 0.003 0.000 1.013 305 N HN -0.034 nan 8.380 nan 0.000 0.472 306 Q N 0.576 120.381 119.800 0.007 0.000 2.030 306 Q HA -0.234 4.114 4.340 0.013 0.000 0.204 306 Q C 1.815 177.806 176.000 -0.015 0.000 0.986 306 Q CA 1.498 57.297 55.803 -0.007 0.000 0.843 306 Q CB -0.874 27.864 28.738 0.000 0.000 0.904 306 Q HN 0.582 nan 8.270 nan 0.000 0.420 307 H N 1.497 120.536 119.070 -0.051 0.000 2.321 307 H HA -0.113 4.451 4.556 0.013 0.000 0.300 307 H C 1.778 177.077 175.328 -0.049 0.000 1.087 307 H CA 1.836 57.851 56.048 -0.056 0.000 1.319 307 H CB 0.327 30.061 29.762 -0.047 0.000 1.379 307 H HN 0.505 nan 8.280 nan 0.000 0.501 308 E N 0.488 120.673 120.200 -0.024 0.000 2.204 308 E HA -0.144 4.214 4.350 0.013 0.000 0.195 308 E C 2.394 178.932 176.600 -0.102 0.000 0.990 308 E CA 0.839 57.201 56.400 -0.062 0.000 0.821 308 E CB -0.407 29.311 29.700 0.029 0.000 0.750 308 E HN 0.338 nan 8.360 nan 0.000 0.477 309 L N 1.421 122.589 121.223 -0.092 0.000 2.093 309 L HA -0.104 4.243 4.340 0.013 0.000 0.208 309 L C 2.282 179.076 176.870 -0.126 0.000 1.085 309 L CA 1.173 55.961 54.840 -0.085 0.000 0.755 309 L CB -0.201 41.810 42.059 -0.079 0.000 0.904 309 L HN -0.009 nan 8.230 nan 0.000 0.435 310 V N -1.088 118.707 119.914 -0.199 0.000 2.343 310 V HA -0.259 3.869 4.120 0.013 0.000 0.247 310 V C 2.500 178.460 176.094 -0.222 0.000 1.051 310 V CA 1.650 63.808 62.300 -0.237 0.000 1.036 310 V CB -0.512 31.126 31.823 -0.309 0.000 0.654 310 V HN 0.349 nan 8.190 nan 0.000 0.451 311 V N -0.405 119.342 119.914 -0.279 0.000 2.407 311 V HA -0.220 3.908 4.120 0.013 0.000 0.248 311 V C 2.346 178.378 176.094 -0.104 0.000 1.055 311 V CA 1.805 63.983 62.300 -0.203 0.000 1.049 311 V CB -0.566 31.135 31.823 -0.203 0.000 0.662 311 V HN 0.481 nan 8.190 nan 0.000 0.455 312 L N 0.813 122.002 121.223 -0.056 0.000 2.141 312 L HA -0.023 4.325 4.340 0.013 0.000 0.209 312 L C 2.404 179.315 176.870 0.070 0.000 1.094 312 L CA 2.079 56.946 54.840 0.045 0.000 0.763 312 L CB -0.834 41.273 42.059 0.079 0.000 0.908 312 L HN 0.238 nan 8.230 nan 0.000 0.437 313 A N -0.794 122.028 122.820 0.003 0.000 2.015 313 A HA -0.162 4.165 4.320 0.013 0.000 0.219 313 A C 2.368 179.945 177.584 -0.010 0.000 1.163 313 A CA 1.278 53.325 52.037 0.016 0.000 0.646 313 A CB -0.466 18.515 19.000 -0.032 0.000 0.806 313 A HN 0.469 nan 8.150 nan 0.000 0.448 314 R N -0.500 119.962 120.500 -0.062 0.000 2.148 314 R HA -0.030 4.318 4.340 0.013 0.000 0.223 314 R C 1.608 177.828 176.300 -0.133 0.000 1.088 314 R CA 1.036 57.086 56.100 -0.084 0.000 0.985 314 R CB -0.027 30.215 30.300 -0.098 0.000 0.880 314 R HN 0.293 nan 8.270 nan 0.000 0.451 315 K N -0.091 120.188 120.400 -0.201 0.000 2.098 315 K HA 0.056 4.384 4.320 0.013 0.000 0.203 315 K C 0.159 176.333 176.600 -0.710 0.000 1.051 315 K CA 0.897 56.880 56.287 -0.506 0.000 0.957 315 K CB 0.247 32.325 32.500 -0.703 0.000 0.738 315 K HN 0.006 nan 8.250 nan 0.000 0.447 316 F N 0.804 120.765 119.950 0.017 0.000 2.477 316 F HA 0.147 4.682 4.527 0.013 0.000 0.335 316 F C 1.230 177.077 175.800 0.078 0.000 1.130 316 F CA -0.843 57.186 58.000 0.049 0.000 0.948 316 F CB 1.785 40.816 39.000 0.053 0.000 1.154 316 F HN -0.124 nan 8.300 nan 0.000 0.439 317 S N 0.136 115.988 115.700 0.253 0.000 2.522 317 S HA -0.143 4.335 4.470 0.013 0.000 0.227 317 S C 1.155 175.946 174.600 0.318 0.000 0.986 317 S CA 0.718 59.052 58.200 0.222 0.000 0.929 317 S CB -0.481 62.817 63.200 0.163 0.000 0.769 317 S HN 0.704 nan 8.310 nan 0.000 0.529 318 N N 1.273 120.190 118.700 0.361 0.000 2.370 318 N HA 0.128 4.876 4.740 0.013 0.000 0.198 318 N C -0.116 175.729 175.510 0.558 0.000 1.156 318 N CA -0.199 53.107 53.050 0.428 0.000 0.839 318 N CB -0.297 38.401 38.487 0.351 0.000 0.989 318 N HN 0.476 nan 8.380 nan 0.000 0.468 319 L N 0.591 122.049 121.223 0.391 0.000 2.313 319 L HA 0.608 4.956 4.340 0.013 0.000 0.283 319 L C -0.973 175.888 176.870 -0.015 0.000 1.013 319 L CA -0.765 54.220 54.840 0.241 0.000 0.816 319 L CB 1.638 43.801 42.059 0.172 0.000 1.236 319 L HN 0.040 nan 8.230 nan 0.000 0.419 320 M N 7.341 126.763 119.600 -0.296 0.000 2.085 320 M HA 0.520 5.008 4.480 0.013 0.000 0.309 320 M C -1.036 175.160 176.300 -0.173 0.000 0.947 320 M CA -0.684 54.304 55.300 -0.519 0.000 0.918 320 M CB 1.046 32.778 32.600 -1.446 0.000 1.504 320 M HN 0.545 nan 8.290 nan 0.000 0.420 321 I N 2.653 123.194 120.570 -0.047 0.000 2.532 321 I HA 0.785 4.963 4.170 0.013 0.000 0.292 321 I C -1.244 174.954 176.117 0.134 0.000 1.014 321 I CA -0.675 60.628 61.300 0.005 0.000 1.340 321 I CB 0.922 38.889 38.000 -0.055 0.000 1.422 321 I HN 0.780 nan 8.210 nan 0.000 0.528 322 F N 2.608 122.528 119.950 -0.050 0.000 2.613 322 F HA 0.899 5.433 4.527 0.013 0.000 0.310 322 F C 0.224 176.085 175.800 0.102 0.000 1.085 322 F CA -0.385 57.619 58.000 0.008 0.000 0.945 322 F CB 0.713 39.658 39.000 -0.092 0.000 1.298 322 F HN 1.038 nan 8.300 nan 0.000 0.455 323 G N 0.361 109.335 108.800 0.289 0.000 2.915 323 G HA2 -0.195 3.773 3.960 0.013 0.000 0.291 323 G HA3 -0.195 3.773 3.960 0.013 0.000 0.291 323 G C -1.048 173.918 174.900 0.110 0.000 1.445 323 G CA -0.365 44.899 45.100 0.273 0.000 0.938 323 G HN 1.324 nan 8.290 nan 0.000 0.556 324 C N -0.182 119.165 119.300 0.078 0.000 2.409 324 C HA 0.417 4.885 4.460 0.013 0.000 0.297 324 C C 0.142 175.240 174.990 0.179 0.000 1.083 324 C CA -0.720 58.359 59.018 0.101 0.000 1.515 324 C CB -0.525 27.251 27.740 0.060 0.000 1.869 324 C HN 0.639 nan 8.230 nan 0.000 0.413 325 W N 4.559 125.905 121.300 0.077 0.000 2.304 325 W HA 0.404 5.072 4.660 0.013 0.000 0.313 325 W C 0.753 177.427 176.519 0.258 0.000 1.323 325 W CA 0.179 57.645 57.345 0.202 0.000 1.223 325 W CB 0.124 29.718 29.460 0.222 0.000 1.237 325 W HN 0.853 nan 8.180 nan 0.000 0.535 326 W N 4.241 125.506 121.300 -0.058 0.000 2.351 326 W HA -0.463 4.205 4.660 0.012 0.000 0.308 326 W C 1.411 177.725 176.519 -0.342 0.000 1.817 326 W CA 2.316 59.412 57.345 -0.414 0.000 1.945 326 W CB -2.167 26.546 29.460 -1.245 0.000 0.927 326 W HN 0.384 nan 8.180 nan 0.000 0.458 327 F N 0.735 120.645 119.950 -0.067 0.000 2.546 327 F HA -0.106 4.428 4.527 0.013 0.000 0.298 327 F C 2.411 178.181 175.800 -0.050 0.000 1.120 327 F CA 1.698 59.600 58.000 -0.163 0.000 1.456 327 F CB -0.862 37.900 39.000 -0.396 0.000 1.088 327 F HN -0.141 nan 8.300 nan 0.000 0.572 328 M N -1.121 118.555 119.600 0.127 0.000 2.510 328 M HA 0.040 4.528 4.480 0.013 0.000 0.256 328 M C 0.728 177.103 176.300 0.125 0.000 1.132 328 M CA 0.527 55.895 55.300 0.114 0.000 1.105 328 M CB -0.911 31.758 32.600 0.115 0.000 1.375 328 M HN -0.038 nan 8.290 nan 0.000 0.477 329 N N 2.933 121.728 118.700 0.160 0.000 3.210 329 N HA 0.048 4.796 4.740 0.013 0.000 0.314 329 N C -1.207 174.410 175.510 0.178 0.000 1.291 329 N CA 0.188 53.329 53.050 0.151 0.000 1.202 329 N CB -0.235 38.351 38.487 0.164 0.000 1.475 329 N HN 0.173 nan 8.380 nan 0.000 0.554 330 N N 0.301 119.086 118.700 0.142 0.000 2.249 330 N HA 0.237 4.985 4.740 0.013 0.000 0.296 330 N C -2.041 173.527 175.510 0.097 0.000 1.051 330 N CA -1.293 51.836 53.050 0.132 0.000 0.815 330 N CB 2.285 40.842 38.487 0.117 0.000 1.487 330 N HN -0.007 nan 8.380 nan 0.000 0.475 331 P HA -0.257 nan 4.420 nan 0.000 0.219 331 P C 1.216 178.547 177.300 0.052 0.000 1.161 331 P CA 1.705 64.844 63.100 0.065 0.000 0.909 331 P CB 0.489 32.213 31.700 0.040 0.000 0.793 332 E N -0.723 119.502 120.200 0.042 0.000 2.097 332 E HA -0.190 4.167 4.350 0.013 0.000 0.196 332 E C 1.818 178.437 176.600 0.033 0.000 1.000 332 E CA 1.495 57.913 56.400 0.031 0.000 0.804 332 E CB -0.886 28.827 29.700 0.022 0.000 0.740 332 E HN 0.073 nan 8.360 nan 0.000 0.454 333 I N 0.324 120.919 120.570 0.041 0.000 2.333 333 I HA -0.132 4.046 4.170 0.013 0.000 0.246 333 I C 2.446 178.590 176.117 0.045 0.000 1.106 333 I CA 0.819 62.143 61.300 0.040 0.000 1.411 333 I CB -1.029 37.000 38.000 0.048 0.000 1.082 333 I HN 0.189 nan 8.210 nan 0.000 0.420 334 I N 1.139 121.744 120.570 0.058 0.000 2.208 334 I HA -0.345 3.833 4.170 0.013 0.000 0.245 334 I C 2.520 178.672 176.117 0.059 0.000 1.097 334 I CA 1.528 62.866 61.300 0.063 0.000 1.363 334 I CB -0.518 37.527 38.000 0.075 0.000 1.051 334 I HN 0.394 nan 8.210 nan 0.000 0.413 335 N N 1.323 120.055 118.700 0.054 0.000 2.058 335 N HA -0.268 4.480 4.740 0.013 0.000 0.191 335 N C 1.890 177.420 175.510 0.033 0.000 1.037 335 N CA 2.040 55.119 53.050 0.048 0.000 0.848 335 N CB -0.033 38.480 38.487 0.042 0.000 1.021 335 N HN 0.560 nan 8.380 nan 0.000 0.422 336 E N 0.449 120.663 120.200 0.024 0.000 2.077 336 E HA -0.193 4.165 4.350 0.013 0.000 0.193 336 E C 2.220 178.821 176.600 0.002 0.000 0.989 336 E CA 1.054 57.461 56.400 0.011 0.000 0.800 336 E CB -0.375 29.330 29.700 0.008 0.000 0.746 336 E HN 0.405 nan 8.360 nan 0.000 0.452 337 M N 0.942 120.545 119.600 0.005 0.000 2.086 337 M HA -0.114 4.373 4.480 0.013 0.000 0.261 337 M C 2.368 178.639 176.300 -0.049 0.000 1.067 337 M CA 2.182 57.470 55.300 -0.020 0.000 1.116 337 M CB -0.338 32.262 32.600 -0.001 0.000 1.348 337 M HN 0.174 nan 8.290 nan 0.000 0.407 338 T N -0.036 114.524 114.554 0.010 0.000 2.788 338 T HA -0.118 4.240 4.350 0.013 0.000 0.268 338 T C 1.826 176.528 174.700 0.003 0.000 1.044 338 T CA 1.199 63.329 62.100 0.051 0.000 1.139 338 T CB -0.242 68.703 68.868 0.129 0.000 0.867 338 T HN 0.364 nan 8.240 nan 0.000 0.454 339 R N 0.369 120.867 120.500 -0.002 0.000 2.073 339 R HA 0.145 4.493 4.340 0.013 0.000 0.229 339 R C 2.636 178.903 176.300 -0.056 0.000 1.120 339 R CA 1.137 57.229 56.100 -0.013 0.000 0.967 339 R CB -0.281 30.019 30.300 0.000 0.000 0.862 339 R HN 0.373 nan 8.270 nan 0.000 0.436 340 M N -0.070 119.491 119.600 -0.065 0.000 2.117 340 M HA -0.179 4.309 4.480 0.013 0.000 0.262 340 M C 2.225 178.418 176.300 -0.177 0.000 1.065 340 M CA 1.754 57.011 55.300 -0.073 0.000 1.114 340 M CB -0.250 32.335 32.600 -0.026 0.000 1.361 340 M HN 0.097 nan 8.290 nan 0.000 0.408 341 R N -0.169 120.142 120.500 -0.315 0.000 2.073 341 R HA -0.110 4.238 4.340 0.013 0.000 0.234 341 R C 2.225 178.193 176.300 -0.553 0.000 1.134 341 R CA 1.612 57.330 56.100 -0.637 0.000 0.952 341 R CB -0.395 29.163 30.300 -1.236 0.000 0.850 341 R HN 0.361 nan 8.270 nan 0.000 0.433 342 M N 0.914 120.343 119.600 -0.286 0.000 2.175 342 M HA -0.170 4.318 4.480 0.013 0.000 0.264 342 M C 1.635 177.906 176.300 -0.048 0.000 1.063 342 M CA 1.709 57.011 55.300 0.003 0.000 1.119 342 M CB 0.127 32.787 32.600 0.101 0.000 1.377 342 M HN 0.087 nan 8.290 nan 0.000 0.415 343 E N -0.233 119.922 120.200 -0.076 0.000 2.110 343 E HA -0.203 4.155 4.350 0.013 0.000 0.193 343 E C 1.753 178.313 176.600 -0.066 0.000 0.988 343 E CA 1.606 57.970 56.400 -0.060 0.000 0.804 343 E CB -0.024 29.649 29.700 -0.046 0.000 0.745 343 E HN 0.578 nan 8.360 nan 0.000 0.458 344 M N -0.639 118.901 119.600 -0.099 0.000 2.414 344 M HA 0.118 4.606 4.480 0.013 0.000 0.251 344 M C 1.028 177.273 176.300 -0.092 0.000 1.116 344 M CA 0.408 55.650 55.300 -0.096 0.000 1.056 344 M CB 0.805 33.331 32.600 -0.124 0.000 1.388 344 M HN 0.051 nan 8.290 nan 0.000 0.487 345 L N -1.588 119.579 121.223 -0.095 0.000 3.086 345 L HA 0.408 4.756 4.340 0.013 0.000 0.274 345 L C 1.269 178.175 176.870 0.060 0.000 1.184 345 L CA -0.048 54.774 54.840 -0.031 0.000 1.002 345 L CB 0.276 42.299 42.059 -0.061 0.000 1.383 345 L HN 0.423 nan 8.230 nan 0.000 0.582 346 G N 1.930 110.760 108.800 0.049 0.000 2.574 346 G HA2 -0.427 3.541 3.960 0.013 0.000 0.301 346 G HA3 -0.427 3.541 3.960 0.013 0.000 0.301 346 G C 0.742 175.751 174.900 0.180 0.000 1.166 346 G CA 0.803 45.944 45.100 0.067 0.000 0.971 346 G HN 0.319 nan 8.290 nan 0.000 0.542 347 T N -2.021 112.600 114.554 0.112 0.000 3.129 347 T HA 0.513 4.871 4.350 0.013 0.000 0.267 347 T C 1.258 175.977 174.700 0.032 0.000 1.018 347 T CA 1.140 63.265 62.100 0.041 0.000 0.903 347 T CB 0.150 69.006 68.868 -0.020 0.000 1.067 347 T HN 1.649 nan 8.240 nan 0.000 0.549 348 S N 1.720 117.520 115.700 0.167 0.000 3.324 348 S HA 0.557 5.035 4.470 0.013 0.000 0.229 348 S C -0.145 174.588 174.600 0.222 0.000 1.417 348 S CA -1.094 57.184 58.200 0.130 0.000 1.211 348 S CB -1.532 61.727 63.200 0.099 0.000 1.157 348 S HN 0.677 nan 8.310 nan 0.000 0.491 349 F N -2.173 117.744 119.950 -0.056 0.000 2.773 349 F HA 0.664 5.198 4.527 0.012 0.000 0.314 349 F C -1.664 174.101 175.800 -0.059 0.000 1.160 349 F CA -1.733 56.226 58.000 -0.069 0.000 0.920 349 F CB 0.782 39.743 39.000 -0.065 0.000 1.323 349 F HN -0.044 nan 8.300 nan 0.000 0.457 350 I N 3.330 123.893 120.570 -0.010 0.000 2.337 350 I HA 0.282 4.460 4.170 0.013 0.000 0.285 350 I C -1.601 174.535 176.117 0.032 0.000 1.041 350 I CA -1.963 59.278 61.300 -0.099 0.000 1.199 350 I CB 1.608 39.633 38.000 0.042 0.000 1.370 350 I HN 0.458 nan 8.210 nan 0.000 0.470 351 P HA -0.171 nan 4.420 nan 0.000 0.216 351 P C 0.331 177.696 177.300 0.109 0.000 1.150 351 P CA 1.426 64.561 63.100 0.058 0.000 0.837 351 P CB 0.476 32.074 31.700 -0.169 0.000 0.786 352 Q N -1.401 118.460 119.800 0.101 0.000 2.534 352 Q HA 0.362 4.710 4.340 0.013 0.000 0.290 352 Q C -1.239 174.914 176.000 0.256 0.000 0.991 352 Q CA -0.785 55.081 55.803 0.105 0.000 0.783 352 Q CB 1.283 29.991 28.738 -0.051 0.000 1.470 352 Q HN 0.275 nan 8.270 nan 0.000 0.406 353 H N -1.046 118.046 119.070 0.036 0.000 3.016 353 H HA 0.472 5.037 4.556 0.014 0.000 0.362 353 H C -0.565 174.649 175.328 -0.190 0.000 1.233 353 H CA -0.126 55.977 56.048 0.091 0.000 1.124 353 H CB 1.440 31.327 29.762 0.207 0.000 1.850 353 H HN 0.688 nan 8.280 nan 0.000 0.549 354 S N -0.012 115.575 115.700 -0.189 0.000 2.421 354 S HA -0.089 4.389 4.470 0.013 0.000 0.224 354 S C 0.588 175.087 174.600 -0.170 0.000 1.035 354 S CA 0.889 58.848 58.200 -0.401 0.000 0.953 354 S CB -0.245 62.747 63.200 -0.346 0.000 0.810 354 S HN 0.779 nan 8.310 nan 0.000 0.497 355 D N 1.216 121.657 120.400 0.068 0.000 2.945 355 D HA -0.141 4.507 4.640 0.013 0.000 0.225 355 D C 0.153 176.478 176.300 0.042 0.000 1.158 355 D CA 0.878 54.945 54.000 0.111 0.000 0.805 355 D CB -1.536 39.478 40.800 0.357 0.000 1.098 355 D HN 0.771 nan 8.370 nan 0.000 0.426 356 A N 0.115 122.885 122.820 -0.084 0.000 2.546 356 A HA 0.216 4.544 4.320 0.013 0.000 0.243 356 A C 1.402 178.974 177.584 -0.020 0.000 1.063 356 A CA 0.578 52.535 52.037 -0.134 0.000 0.757 356 A CB 0.413 19.325 19.000 -0.146 0.000 0.991 356 A HN 0.341 nan 8.150 nan 0.000 0.503 357 R N 1.171 121.641 120.500 -0.051 0.000 2.250 357 R HA 0.203 4.551 4.340 0.013 0.000 0.194 357 R C -0.590 175.742 176.300 0.053 0.000 0.927 357 R CA 0.386 56.531 56.100 0.075 0.000 1.052 357 R CB 0.598 30.997 30.300 0.165 0.000 1.055 357 R HN 0.535 nan 8.270 nan 0.000 0.537 358 V N 1.676 121.552 119.914 -0.063 0.000 2.487 358 V HA 0.047 4.175 4.120 0.013 0.000 0.298 358 V C 0.864 176.968 176.094 0.016 0.000 1.028 358 V CA -0.470 61.831 62.300 0.003 0.000 0.860 358 V CB 1.825 33.614 31.823 -0.057 0.000 0.991 358 V HN 0.077 nan 8.190 nan 0.000 0.427 359 L N 4.537 125.831 121.223 0.120 0.000 2.011 359 L HA -0.229 4.119 4.340 0.013 0.000 0.225 359 L C 2.188 179.108 176.870 0.084 0.000 1.084 359 L CA 2.366 57.277 54.840 0.118 0.000 0.791 359 L CB -0.379 41.778 42.059 0.164 0.000 0.898 359 L HN 0.811 nan 8.230 nan 0.000 0.440 360 E N -0.574 119.697 120.200 0.120 0.000 2.333 360 E HA -0.222 4.136 4.350 0.013 0.000 0.198 360 E C 2.134 178.755 176.600 0.036 0.000 1.007 360 E CA 1.068 57.537 56.400 0.115 0.000 0.845 360 E CB -0.285 29.522 29.700 0.177 0.000 0.766 360 E HN 0.674 nan 8.360 nan 0.000 0.507 361 Q N -0.055 119.705 119.800 -0.066 0.000 2.291 361 Q HA -0.115 4.233 4.340 0.013 0.000 0.206 361 Q C 1.934 177.727 176.000 -0.345 0.000 0.976 361 Q CA 0.714 56.358 55.803 -0.265 0.000 0.875 361 Q CB -0.180 28.287 28.738 -0.453 0.000 0.927 361 Q HN 0.367 nan 8.270 nan 0.000 0.450 362 L N 0.262 121.412 121.223 -0.121 0.000 2.127 362 L HA -0.231 4.117 4.340 0.013 0.000 0.211 362 L C 2.171 179.095 176.870 0.091 0.000 1.089 362 L CA 0.993 55.855 54.840 0.036 0.000 0.757 362 L CB -0.446 41.689 42.059 0.127 0.000 0.899 362 L HN 0.295 nan 8.230 nan 0.000 0.434 363 I N -0.836 119.759 120.570 0.043 0.000 2.113 363 I HA -0.338 3.840 4.170 0.013 0.000 0.238 363 I C 2.656 178.821 176.117 0.080 0.000 1.070 363 I CA 1.764 63.121 61.300 0.095 0.000 1.332 363 I CB -0.547 37.507 38.000 0.091 0.000 1.044 363 I HN 0.267 nan 8.210 nan 0.000 0.402 364 Y N 1.508 121.732 120.300 -0.128 0.000 2.263 364 Y HA -0.044 4.514 4.550 0.013 0.000 0.292 364 Y C 2.279 177.913 175.900 -0.444 0.000 1.130 364 Y CA 0.784 58.649 58.100 -0.392 0.000 1.179 364 Y CB -0.711 37.446 38.460 -0.504 0.000 0.998 364 Y HN -0.118 nan 8.280 nan 0.000 0.532 365 K N 0.378 120.253 120.400 -0.875 0.000 2.032 365 K HA -0.217 4.111 4.320 0.013 0.000 0.209 365 K C 1.775 178.082 176.600 -0.489 0.000 1.048 365 K CA 2.155 57.971 56.287 -0.785 0.000 0.927 365 K CB -1.056 30.888 32.500 -0.927 0.000 0.712 365 K HN 0.572 nan 8.250 nan 0.000 0.441 366 W N 0.206 121.455 121.300 -0.085 0.000 2.476 366 W HA -0.070 4.597 4.660 0.012 0.000 0.281 366 W C 2.428 179.003 176.519 0.094 0.000 1.230 366 W CA 0.536 57.894 57.345 0.022 0.000 1.287 366 W CB -0.310 29.145 29.460 -0.008 0.000 1.108 366 W HN 0.319 nan 8.180 nan 0.000 0.567 367 H N -0.362 118.822 119.070 0.191 0.000 2.326 367 H HA -0.143 4.420 4.556 0.012 0.000 0.301 367 H C 1.818 177.318 175.328 0.287 0.000 1.081 367 H CA 2.313 58.486 56.048 0.207 0.000 1.334 367 H CB -0.579 29.293 29.762 0.184 0.000 1.385 367 H HN 0.291 nan 8.280 nan 0.000 0.504 368 H N -0.630 118.675 119.070 0.391 0.000 2.353 368 H HA -0.069 4.496 4.556 0.015 0.000 0.300 368 H C 2.543 177.980 175.328 0.182 0.000 1.090 368 H CA 1.021 57.241 56.048 0.287 0.000 1.327 368 H CB 0.376 30.286 29.762 0.247 0.000 1.383 368 H HN 0.268 nan 8.280 nan 0.000 0.508 369 S N 0.465 116.321 115.700 0.260 0.000 2.371 369 S HA -0.088 4.390 4.470 0.013 0.000 0.224 369 S C 1.920 176.681 174.600 0.268 0.000 1.029 369 S CA 0.820 59.133 58.200 0.188 0.000 0.978 369 S CB 0.012 63.236 63.200 0.039 0.000 0.833 369 S HN 0.335 nan 8.310 nan 0.000 0.466 370 K N 1.418 122.004 120.400 0.309 0.000 2.103 370 K HA -0.100 4.228 4.320 0.013 0.000 0.207 370 K C 2.548 179.251 176.600 0.172 0.000 1.048 370 K CA 1.594 58.045 56.287 0.273 0.000 0.930 370 K CB -0.291 32.279 32.500 0.116 0.000 0.716 370 K HN 0.489 nan 8.250 nan 0.000 0.444 371 S N 0.914 116.688 115.700 0.123 0.000 2.402 371 S HA -0.111 4.367 4.470 0.013 0.000 0.229 371 S C 1.995 176.665 174.600 0.117 0.000 1.021 371 S CA 0.882 59.138 58.200 0.093 0.000 0.974 371 S CB -0.448 62.807 63.200 0.093 0.000 0.800 371 S HN 0.199 nan 8.310 nan 0.000 0.484 372 I N 1.223 121.877 120.570 0.140 0.000 2.233 372 I HA -0.051 4.127 4.170 0.013 0.000 0.243 372 I C 2.377 178.574 176.117 0.134 0.000 1.093 372 I CA 1.115 62.488 61.300 0.123 0.000 1.380 372 I CB -0.352 37.719 38.000 0.119 0.000 1.067 372 I HN 0.260 nan 8.210 nan 0.000 0.413 373 I N 0.960 121.637 120.570 0.179 0.000 2.286 373 I HA -0.280 3.898 4.170 0.013 0.000 0.248 373 I C 2.807 179.033 176.117 0.181 0.000 1.115 373 I CA 1.267 62.684 61.300 0.194 0.000 1.392 373 I CB -0.472 37.703 38.000 0.291 0.000 1.065 373 I HN 0.179 nan 8.210 nan 0.000 0.418 374 A N 0.493 123.422 122.820 0.182 0.000 1.902 374 A HA -0.200 4.128 4.320 0.013 0.000 0.217 374 A C 2.236 179.893 177.584 0.123 0.000 1.181 374 A CA 1.533 53.660 52.037 0.151 0.000 0.623 374 A CB -0.410 18.657 19.000 0.113 0.000 0.818 374 A HN 0.324 nan 8.150 nan 0.000 0.443 375 E N -0.082 120.180 120.200 0.104 0.000 2.110 375 E HA -0.109 4.249 4.350 0.013 0.000 0.193 375 E C 2.215 178.860 176.600 0.075 0.000 0.988 375 E CA 1.290 57.741 56.400 0.085 0.000 0.804 375 E CB -0.659 29.084 29.700 0.073 0.000 0.745 375 E HN 0.413 nan 8.360 nan 0.000 0.458 376 V N 1.460 121.419 119.914 0.075 0.000 2.358 376 V HA -0.224 3.904 4.120 0.013 0.000 0.246 376 V C 2.555 178.661 176.094 0.019 0.000 1.047 376 V CA 1.283 63.614 62.300 0.051 0.000 1.035 376 V CB -0.541 31.321 31.823 0.064 0.000 0.658 376 V HN 0.176 nan 8.190 nan 0.000 0.452 377 L N -0.654 120.586 121.223 0.028 0.000 2.046 377 L HA -0.186 4.162 4.340 0.013 0.000 0.208 377 L C 2.365 179.253 176.870 0.029 0.000 1.077 377 L CA 1.666 56.470 54.840 -0.060 0.000 0.747 377 L CB -0.472 41.623 42.059 0.060 0.000 0.896 377 L HN 0.267 nan 8.230 nan 0.000 0.432 378 I N -0.369 120.285 120.570 0.141 0.000 2.226 378 I HA -0.309 3.869 4.170 0.013 0.000 0.245 378 I C 2.115 178.309 176.117 0.130 0.000 1.100 378 I CA 1.223 62.632 61.300 0.183 0.000 1.374 378 I CB -0.415 37.666 38.000 0.134 0.000 1.057 378 I HN 0.285 nan 8.210 nan 0.000 0.413 379 D N 0.928 121.372 120.400 0.073 0.000 2.097 379 D HA -0.161 4.487 4.640 0.013 0.000 0.195 379 D C 2.179 178.500 176.300 0.036 0.000 0.989 379 D CA 1.285 55.316 54.000 0.052 0.000 0.827 379 D CB -0.118 40.702 40.800 0.033 0.000 0.966 379 D HN 0.115 nan 8.370 nan 0.000 0.456 380 K N -0.123 120.265 120.400 -0.020 0.000 2.097 380 K HA -0.093 4.235 4.320 0.013 0.000 0.205 380 K C 2.030 178.614 176.600 -0.027 0.000 1.050 380 K CA 0.699 56.942 56.287 -0.073 0.000 0.938 380 K CB -0.526 31.869 32.500 -0.174 0.000 0.718 380 K HN 0.218 nan 8.250 nan 0.000 0.442 381 Y N 0.673 121.001 120.300 0.048 0.000 2.242 381 Y HA -0.143 4.413 4.550 0.011 0.000 0.291 381 Y C 2.040 177.981 175.900 0.069 0.000 1.137 381 Y CA 1.178 59.315 58.100 0.062 0.000 1.181 381 Y CB -0.633 37.874 38.460 0.078 0.000 0.989 381 Y HN 0.158 nan 8.280 nan 0.000 0.527 382 D N -0.246 120.286 120.400 0.220 0.000 2.144 382 D HA -0.161 4.487 4.640 0.013 0.000 0.199 382 D C 1.547 177.915 176.300 0.112 0.000 0.984 382 D CA 1.433 55.520 54.000 0.146 0.000 0.834 382 D CB -0.067 40.799 40.800 0.109 0.000 0.955 382 D HN 0.158 nan 8.370 nan 0.000 0.465 383 D N -0.258 120.195 120.400 0.088 0.000 2.117 383 D HA -0.114 4.534 4.640 0.013 0.000 0.197 383 D C 2.173 178.516 176.300 0.071 0.000 0.987 383 D CA 0.987 55.023 54.000 0.061 0.000 0.829 383 D CB -0.294 40.523 40.800 0.029 0.000 0.961 383 D HN 0.554 nan 8.370 nan 0.000 0.460 384 I N -2.132 118.490 120.570 0.088 0.000 2.761 384 I HA -0.068 4.110 4.170 0.013 0.000 0.261 384 I C 1.849 178.087 176.117 0.201 0.000 1.198 384 I CA 0.397 61.757 61.300 0.100 0.000 1.482 384 I CB -0.134 37.869 38.000 0.004 0.000 1.100 384 I HN -0.155 nan 8.210 nan 0.000 0.445 385 L N 1.190 122.533 121.223 0.200 0.000 2.056 385 L HA -0.125 4.223 4.340 0.013 0.000 0.207 385 L C 2.710 179.661 176.870 0.135 0.000 1.078 385 L CA 1.860 56.812 54.840 0.187 0.000 0.749 385 L CB -0.916 41.232 42.059 0.149 0.000 0.901 385 L HN 0.318 nan 8.230 nan 0.000 0.433 386 Q N -1.359 118.506 119.800 0.108 0.000 2.291 386 Q HA -0.048 4.300 4.340 0.013 0.000 0.205 386 Q C 1.895 177.945 176.000 0.083 0.000 0.970 386 Q CA 1.039 56.890 55.803 0.081 0.000 0.876 386 Q CB -0.178 28.599 28.738 0.064 0.000 0.935 386 Q HN 0.537 nan 8.270 nan 0.000 0.455 387 A N -0.190 122.693 122.820 0.104 0.000 2.238 387 A HA 0.318 4.646 4.320 0.013 0.000 0.208 387 A C 1.478 179.142 177.584 0.134 0.000 1.177 387 A CA 0.789 52.889 52.037 0.104 0.000 0.804 387 A CB -0.088 18.970 19.000 0.097 0.000 0.823 387 A HN 0.438 nan 8.150 nan 0.000 0.482 388 G N -2.552 106.334 108.800 0.143 0.000 2.195 388 G HA2 -0.246 3.722 3.960 0.013 0.000 0.224 388 G HA3 -0.246 3.722 3.960 0.013 0.000 0.224 388 G C 0.109 175.111 174.900 0.170 0.000 0.990 388 G CA 0.004 45.181 45.100 0.128 0.000 0.639 388 G HN 0.604 nan 8.290 nan 0.000 0.514 389 W N 2.022 123.341 121.300 0.032 0.000 2.170 389 W HA 0.566 5.232 4.660 0.011 0.000 0.336 389 W C -0.318 176.218 176.519 0.029 0.000 1.283 389 W CA 0.380 57.746 57.345 0.035 0.000 1.224 389 W CB 0.557 30.047 29.460 0.051 0.000 1.132 389 W HN 0.223 nan 8.180 nan 0.000 0.571 390 E N 3.595 123.543 120.200 -0.420 0.000 2.165 390 E HA 0.229 4.587 4.350 0.013 0.000 0.266 390 E C -1.083 175.384 176.600 -0.221 0.000 0.889 390 E CA -0.693 55.566 56.400 -0.234 0.000 0.756 390 E CB 2.689 32.239 29.700 -0.250 0.000 1.131 390 E HN 0.158 nan 8.360 nan 0.000 0.411 391 V N 3.504 123.435 119.914 0.028 0.000 2.427 391 V HA 0.344 4.472 4.120 0.013 0.000 0.286 391 V C 0.008 176.073 176.094 -0.049 0.000 1.034 391 V CA -0.209 62.127 62.300 0.060 0.000 0.893 391 V CB 1.605 33.443 31.823 0.024 0.000 0.982 391 V HN 0.842 nan 8.190 nan 0.000 0.452 392 T N 1.682 116.213 114.554 -0.038 0.000 2.918 392 T HA 0.349 4.707 4.350 0.013 0.000 0.283 392 T C 0.912 175.576 174.700 -0.061 0.000 1.001 392 T CA -0.002 62.068 62.100 -0.050 0.000 1.041 392 T CB 1.382 70.230 68.868 -0.033 0.000 1.028 392 T HN 0.785 nan 8.240 nan 0.000 0.511 393 E N 0.030 120.199 120.200 -0.053 0.000 2.153 393 E HA -0.171 4.187 4.350 0.013 0.000 0.194 393 E C 1.799 178.383 176.600 -0.027 0.000 0.988 393 E CA 0.923 57.292 56.400 -0.050 0.000 0.811 393 E CB 0.094 29.773 29.700 -0.035 0.000 0.746 393 E HN 0.637 nan 8.360 nan 0.000 0.466 394 E N 0.520 120.713 120.200 -0.013 0.000 2.150 394 E HA -0.173 4.185 4.350 0.013 0.000 0.193 394 E C 1.809 178.424 176.600 0.025 0.000 0.985 394 E CA 0.868 57.271 56.400 0.006 0.000 0.814 394 E CB -0.043 29.661 29.700 0.007 0.000 0.752 394 E HN 0.428 nan 8.360 nan 0.000 0.466 395 E N 0.351 120.567 120.200 0.027 0.000 2.106 395 E HA -0.078 4.280 4.350 0.013 0.000 0.192 395 E C 2.227 178.875 176.600 0.079 0.000 0.984 395 E CA 0.470 56.911 56.400 0.069 0.000 0.806 395 E CB -0.041 29.719 29.700 0.100 0.000 0.750 395 E HN 0.242 nan 8.360 nan 0.000 0.458 396 I N 1.294 121.867 120.570 0.005 0.000 2.202 396 I HA -0.282 3.896 4.170 0.013 0.000 0.242 396 I C 2.233 178.409 176.117 0.098 0.000 1.091 396 I CA 1.247 62.557 61.300 0.017 0.000 1.368 396 I CB -0.190 37.738 38.000 -0.120 0.000 1.058 396 I HN 0.016 nan 8.210 nan 0.000 0.410 397 K N 0.328 120.761 120.400 0.054 0.000 2.097 397 K HA -0.215 4.113 4.320 0.013 0.000 0.206 397 K C 2.265 178.913 176.600 0.080 0.000 1.049 397 K CA 1.179 57.502 56.287 0.058 0.000 0.933 397 K CB -0.245 32.273 32.500 0.029 0.000 0.717 397 K HN 0.251 nan 8.250 nan 0.000 0.442 398 R N 1.334 121.882 120.500 0.081 0.000 2.073 398 R HA -0.168 4.180 4.340 0.013 0.000 0.234 398 R C 1.360 177.724 176.300 0.107 0.000 1.134 398 R CA 2.026 58.178 56.100 0.086 0.000 0.952 398 R CB -0.140 30.210 30.300 0.082 0.000 0.850 398 R HN 0.138 nan 8.270 nan 0.000 0.433 399 D N 0.144 120.628 120.400 0.140 0.000 2.117 399 D HA -0.131 4.517 4.640 0.013 0.000 0.197 399 D C 2.002 178.384 176.300 0.137 0.000 0.987 399 D CA 1.210 55.298 54.000 0.146 0.000 0.829 399 D CB -0.225 40.716 40.800 0.235 0.000 0.961 399 D HN 0.121 nan 8.370 nan 0.000 0.460 400 V N 1.482 121.508 119.914 0.187 0.000 2.407 400 V HA -0.217 3.911 4.120 0.013 0.000 0.248 400 V C 2.524 178.779 176.094 0.268 0.000 1.055 400 V CA 1.703 64.158 62.300 0.260 0.000 1.049 400 V CB -0.722 31.235 31.823 0.223 0.000 0.662 400 V HN 0.183 nan 8.190 nan 0.000 0.455 401 A N -0.334 122.585 122.820 0.163 0.000 1.930 401 A HA -0.217 4.111 4.320 0.013 0.000 0.217 401 A C 2.008 179.668 177.584 0.126 0.000 1.175 401 A CA 1.832 53.953 52.037 0.140 0.000 0.627 401 A CB -0.505 18.552 19.000 0.096 0.000 0.815 401 A HN 0.524 nan 8.150 nan 0.000 0.443 402 D N 0.184 120.636 120.400 0.087 0.000 2.097 402 D HA -0.106 4.542 4.640 0.013 0.000 0.195 402 D C 2.007 178.288 176.300 -0.032 0.000 0.989 402 D CA 1.094 55.119 54.000 0.041 0.000 0.827 402 D CB -0.340 40.473 40.800 0.022 0.000 0.966 402 D HN 0.446 nan 8.370 nan 0.000 0.456 403 L N -0.569 120.592 121.223 -0.103 0.000 2.017 403 L HA -0.143 4.205 4.340 0.013 0.000 0.208 403 L C 2.156 178.797 176.870 -0.382 0.000 1.073 403 L CA 1.028 55.658 54.840 -0.349 0.000 0.745 403 L CB -0.374 41.394 42.059 -0.485 0.000 0.894 403 L HN -0.025 nan 8.230 nan 0.000 0.432 404 F N -2.106 117.817 119.950 -0.046 0.000 2.789 404 F HA 0.018 4.552 4.527 0.012 0.000 0.300 404 F C 2.138 177.901 175.800 -0.061 0.000 1.132 404 F CA 0.605 58.568 58.000 -0.062 0.000 1.404 404 F CB 0.408 39.349 39.000 -0.099 0.000 1.114 404 F HN 0.000 nan 8.300 nan 0.000 0.584 405 S N -1.172 114.612 115.700 0.140 0.000 3.798 405 S HA 0.108 4.586 4.470 0.013 0.000 0.227 405 S C 1.773 176.535 174.600 0.270 0.000 1.126 405 S CA -0.208 58.109 58.200 0.195 0.000 1.030 405 S CB -0.263 63.080 63.200 0.237 0.000 1.189 405 S HN 0.062 nan 8.310 nan 0.000 0.464 406 R N 1.619 122.253 120.500 0.224 0.000 2.096 406 R HA 0.078 4.426 4.340 0.013 0.000 0.235 406 R C 1.700 178.097 176.300 0.162 0.000 1.127 406 R CA 1.699 57.932 56.100 0.221 0.000 0.968 406 R CB -0.397 29.991 30.300 0.147 0.000 0.861 406 R HN 0.386 nan 8.270 nan 0.000 0.440 407 N N 0.621 119.377 118.700 0.095 0.000 2.104 407 N HA -0.193 4.555 4.740 0.013 0.000 0.190 407 N C 1.457 177.016 175.510 0.083 0.000 1.024 407 N CA 1.168 54.257 53.050 0.066 0.000 0.853 407 N CB -0.362 38.120 38.487 -0.008 0.000 1.008 407 N HN 0.125 nan 8.380 nan 0.000 0.424 408 F N 0.153 120.037 119.950 -0.110 0.000 2.051 408 F HA -0.112 4.423 4.527 0.013 0.000 0.296 408 F C 1.943 177.631 175.800 -0.187 0.000 1.122 408 F CA 1.336 59.195 58.000 -0.235 0.000 1.201 408 F CB -0.788 37.917 39.000 -0.493 0.000 0.978 408 F HN 0.030 nan 8.300 nan 0.000 0.472 409 W N 0.622 121.841 121.300 -0.135 0.000 2.374 409 W HA -0.124 4.544 4.660 0.013 0.000 0.288 409 W C 2.788 179.201 176.519 -0.177 0.000 1.218 409 W CA 1.271 58.471 57.345 -0.241 0.000 1.245 409 W CB -0.426 28.995 29.460 -0.064 0.000 1.126 409 W HN -0.039 nan 8.180 nan 0.000 0.545 410 R N -0.390 120.186 120.500 0.126 0.000 2.073 410 R HA -0.163 4.185 4.340 0.013 0.000 0.229 410 R C 2.123 178.455 176.300 0.053 0.000 1.120 410 R CA 1.468 57.623 56.100 0.092 0.000 0.967 410 R CB -0.754 29.613 30.300 0.111 0.000 0.862 410 R HN 0.164 nan 8.270 nan 0.000 0.436 411 F N 1.068 120.941 119.950 -0.129 0.000 2.146 411 F HA -0.155 4.380 4.527 0.014 0.000 0.298 411 F C 2.007 177.694 175.800 -0.189 0.000 1.096 411 F CA 1.580 59.497 58.000 -0.139 0.000 1.275 411 F CB -0.178 38.739 39.000 -0.138 0.000 1.008 411 F HN -0.067 nan 8.300 nan 0.000 0.480 412 V N -1.298 118.453 119.914 -0.270 0.000 2.970 412 V HA 0.266 4.394 4.120 0.013 0.000 0.260 412 V C 1.254 177.238 176.094 -0.182 0.000 1.100 412 V CA 0.434 62.553 62.300 -0.301 0.000 1.122 412 V CB -1.595 29.955 31.823 -0.455 0.000 0.721 412 V HN 0.664 nan 8.190 nan 0.000 0.483 413 G N 0.000 108.725 108.800 -0.124 0.000 5.446 413 G HA2 0.000 3.968 3.960 0.013 0.000 0.244 413 G HA3 0.000 3.968 3.960 0.013 0.000 0.244 413 G CA 0.000 45.062 45.100 -0.063 0.000 0.502 413 G HN 0.000 nan 8.290 nan 0.000 0.925