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 2q50_1_D DATA FIRST_RESID 6 DATA SEQUENCE LXKVFVTRRI PAEGRVALAR AADCEVEQWD SDEPIPAKEL ERGVAGAHGL DATA SEQUENCE LCLLSDHVDK RILDAAGANL KVISTXSVGI DHLALDEIKK RGIRVGYTPD DATA SEQUENCE VLTDTTAELA VSLLLTTCRR LPEAIEEVKN GGWTSWKPLW LCGYGLTQST DATA SEQUENCE VGIIGLGRIG QAIARRLKPF GVQRFLYTGR QPRPEEAAEF QAEFVSTPEL DATA SEQUENCE AAQSDFIVVA CSLTPATEGL CNKDFFQKXK ETAVFINISR GDVVNQDDLY DATA SEQUENCE QALASGKIAA AGLDVTSPEP LPTNHPLLTL KNCVILPHIG SATHRTRNTX DATA SEQUENCE SLLAANNLLA GLRGEPXPSE L 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.808 176.870 -0.104 0.000 1.165 6 L CA 0.000 54.817 54.840 -0.038 0.000 0.813 6 L CB 0.000 42.055 42.059 -0.006 0.000 0.961 9 V N 2.625 122.653 119.914 0.192 0.000 2.969 9 V HA 0.604 4.724 4.120 -0.000 0.000 0.304 9 V C -1.509 174.726 176.094 0.236 0.000 1.192 9 V CA -0.890 61.519 62.300 0.182 0.000 0.962 9 V CB 1.860 33.744 31.823 0.101 0.000 1.045 9 V HN 0.697 nan 8.190 nan 0.000 0.428 10 F N 3.336 123.328 119.950 0.069 0.000 2.477 10 F HA 0.770 5.297 4.527 -0.000 0.000 0.335 10 F C -0.410 175.431 175.800 0.068 0.000 1.130 10 F CA -0.807 57.234 58.000 0.067 0.000 0.948 10 F CB 1.756 40.791 39.000 0.059 0.000 1.154 10 F HN 0.305 nan 8.300 nan 0.000 0.439 11 V N 5.645 125.207 119.914 -0.587 0.000 2.334 11 V HA 0.118 4.238 4.120 -0.000 0.000 0.267 11 V C 1.063 176.755 176.094 -0.670 0.000 1.040 11 V CA 0.110 62.148 62.300 -0.436 0.000 0.866 11 V CB 0.765 32.452 31.823 -0.226 0.000 1.019 11 V HN 0.903 nan 8.190 nan 0.000 0.468 12 T N 2.127 116.445 114.554 -0.393 0.000 3.139 12 T HA 0.018 4.368 4.350 -0.000 0.000 0.267 12 T C 0.645 175.367 174.700 0.036 0.000 1.164 12 T CA 0.700 62.692 62.100 -0.180 0.000 1.075 12 T CB 0.081 68.948 68.868 -0.001 0.000 0.904 12 T HN 0.621 nan 8.240 nan 0.000 0.540 13 R N -0.782 119.727 120.500 0.015 0.000 2.780 13 R HA 0.456 4.796 4.340 -0.000 0.000 0.280 13 R C -1.714 174.598 176.300 0.020 0.000 1.016 13 R CA -1.037 55.135 56.100 0.120 0.000 0.854 13 R CB 0.993 31.366 30.300 0.121 0.000 1.293 13 R HN 0.093 nan 8.270 nan 0.000 0.483 14 R N 2.378 122.886 120.500 0.013 0.000 2.370 14 R HA 0.301 4.641 4.340 -0.000 0.000 0.309 14 R C -0.152 176.141 176.300 -0.012 0.000 1.059 14 R CA 0.056 56.143 56.100 -0.022 0.000 0.981 14 R CB -0.027 30.251 30.300 -0.037 0.000 0.972 14 R HN 0.451 nan 8.270 nan 0.000 0.437 15 I N 1.160 121.719 120.570 -0.018 0.000 2.910 15 I HA 0.669 4.839 4.170 -0.000 0.000 0.310 15 I C -2.296 173.814 176.117 -0.011 0.000 1.043 15 I CA -3.528 57.764 61.300 -0.014 0.000 1.053 15 I CB 2.077 40.067 38.000 -0.017 0.000 1.242 15 I HN 0.446 nan 8.210 nan 0.000 0.452 16 P HA 0.030 nan 4.420 nan 0.000 0.261 16 P C 0.608 177.906 177.300 -0.005 0.000 1.183 16 P CA 0.233 63.333 63.100 -0.000 0.000 0.761 16 P CB 0.993 32.696 31.700 0.005 0.000 0.785 17 A N 4.787 127.604 122.820 -0.006 0.000 2.023 17 A HA -0.315 4.005 4.320 -0.000 0.000 0.223 17 A C 1.913 179.492 177.584 -0.007 0.000 1.180 17 A CA 1.801 53.833 52.037 -0.008 0.000 0.659 17 A CB -0.833 18.161 19.000 -0.009 0.000 0.817 17 A HN 0.567 nan 8.150 nan 0.000 0.466 18 E N -0.687 119.511 120.200 -0.005 0.000 2.103 18 E HA -0.256 4.094 4.350 -0.000 0.000 0.229 18 E C 2.002 178.598 176.600 -0.007 0.000 1.061 18 E CA 1.877 58.274 56.400 -0.005 0.000 0.916 18 E CB -1.397 28.302 29.700 -0.003 0.000 0.806 18 E HN 0.594 nan 8.360 nan 0.000 0.489 19 G N -0.239 108.556 108.800 -0.007 0.000 2.712 19 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.212 19 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.212 19 G C 1.689 176.583 174.900 -0.010 0.000 1.142 19 G CA 0.278 45.373 45.100 -0.008 0.000 0.789 19 G HN 0.121 nan 8.290 nan 0.000 0.535 20 R N -0.527 119.966 120.500 -0.012 0.000 2.100 20 R HA 0.123 4.463 4.340 -0.000 0.000 0.220 20 R C 2.432 178.725 176.300 -0.012 0.000 1.091 20 R CA 0.573 56.664 56.100 -0.014 0.000 0.986 20 R CB -0.011 30.279 30.300 -0.017 0.000 0.888 20 R HN 0.223 nan 8.270 nan 0.000 0.444 21 V N 0.472 120.380 119.914 -0.010 0.000 2.488 21 V HA -0.075 4.045 4.120 -0.000 0.000 0.246 21 V C 2.218 178.308 176.094 -0.008 0.000 1.046 21 V CA 1.659 63.953 62.300 -0.009 0.000 1.053 21 V CB -0.224 31.593 31.823 -0.009 0.000 0.679 21 V HN 0.417 nan 8.190 nan 0.000 0.458 22 A N 0.378 123.194 122.820 -0.007 0.000 1.845 22 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 22 A C 2.097 179.678 177.584 -0.006 0.000 1.195 22 A CA 1.619 53.652 52.037 -0.007 0.000 0.616 22 A CB -0.710 18.286 19.000 -0.006 0.000 0.832 22 A HN 0.471 nan 8.150 nan 0.000 0.443 23 L N -0.486 120.734 121.223 -0.006 0.000 2.450 23 L HA -0.196 4.144 4.340 -0.000 0.000 0.225 23 L C 2.545 179.413 176.870 -0.005 0.000 1.145 23 L CA 0.637 55.474 54.840 -0.005 0.000 0.801 23 L CB -0.454 41.603 42.059 -0.005 0.000 0.924 23 L HN 0.476 nan 8.230 nan 0.000 0.447 24 A N -0.416 122.401 122.820 -0.005 0.000 2.218 24 A HA 0.021 4.341 4.320 -0.000 0.000 0.209 24 A C 2.268 179.849 177.584 -0.004 0.000 1.168 24 A CA 0.329 52.364 52.037 -0.005 0.000 0.804 24 A CB -0.125 18.871 19.000 -0.006 0.000 0.834 24 A HN 0.349 nan 8.150 nan 0.000 0.482 25 R N -0.558 119.939 120.500 -0.005 0.000 2.195 25 R HA 0.264 4.604 4.340 -0.000 0.000 0.197 25 R C 0.889 177.186 176.300 -0.005 0.000 0.990 25 R CA 0.541 56.638 56.100 -0.005 0.000 1.048 25 R CB -0.062 30.235 30.300 -0.005 0.000 0.997 25 R HN 0.334 nan 8.270 nan 0.000 0.502 26 A N 1.689 124.505 122.820 -0.006 0.000 2.507 26 A HA 0.203 4.523 4.320 -0.000 0.000 0.281 26 A C 1.366 178.944 177.584 -0.009 0.000 1.154 26 A CA 0.522 52.555 52.037 -0.008 0.000 0.828 26 A CB -0.077 18.917 19.000 -0.009 0.000 1.069 26 A HN 0.446 nan 8.150 nan 0.000 0.522 27 A N 2.846 125.661 122.820 -0.009 0.000 2.076 27 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 27 A C 1.235 178.812 177.584 -0.013 0.000 1.160 27 A CA 1.681 53.713 52.037 -0.008 0.000 0.653 27 A CB -0.383 18.613 19.000 -0.007 0.000 0.801 27 A HN 0.897 nan 8.150 nan 0.000 0.455 28 D N -1.817 118.572 120.400 -0.018 0.000 2.561 28 D HA 0.249 4.889 4.640 -0.000 0.000 0.232 28 D C -0.406 175.870 176.300 -0.039 0.000 1.198 28 D CA -0.432 53.550 54.000 -0.030 0.000 0.826 28 D CB -0.916 39.864 40.800 -0.034 0.000 0.992 28 D HN 0.112 nan 8.370 nan 0.000 0.490 29 C N 0.735 120.020 119.300 -0.025 0.000 2.319 29 C HA 0.495 4.955 4.460 -0.000 0.000 0.323 29 C C 0.033 175.019 174.990 -0.007 0.000 1.277 29 C CA -0.829 58.176 59.018 -0.021 0.000 1.517 29 C CB 0.346 28.081 27.740 -0.009 0.000 2.206 29 C HN 0.353 nan 8.230 nan 0.000 0.486 30 E N 2.643 122.840 120.200 -0.005 0.000 2.400 30 E HA 0.476 4.826 4.350 -0.000 0.000 0.232 30 E C -1.039 175.599 176.600 0.063 0.000 0.988 30 E CA 0.015 56.431 56.400 0.027 0.000 0.823 30 E CB 0.334 30.050 29.700 0.028 0.000 1.246 30 E HN 0.476 nan 8.360 nan 0.000 0.441 31 V N 3.676 123.625 119.914 0.058 0.000 2.417 31 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 31 V C 0.350 176.497 176.094 0.088 0.000 1.024 31 V CA -0.697 61.648 62.300 0.076 0.000 0.861 31 V CB 1.652 33.497 31.823 0.037 0.000 0.985 31 V HN 0.624 nan 8.190 nan 0.000 0.436 32 E N 3.590 123.882 120.200 0.152 0.000 3.029 32 E HA 0.664 5.014 4.350 -0.000 0.000 0.249 32 E C -0.845 175.794 176.600 0.063 0.000 1.089 32 E CA -0.574 55.933 56.400 0.177 0.000 1.089 32 E CB 1.724 31.633 29.700 0.348 0.000 1.428 32 E HN 0.674 nan 8.360 nan 0.000 0.555 33 Q N 0.169 120.009 119.800 0.068 0.000 2.766 33 Q HA 0.041 4.381 4.340 -0.000 0.000 0.240 33 Q C -2.042 173.992 176.000 0.057 0.000 0.993 33 Q CA -0.486 55.242 55.803 -0.124 0.000 1.006 33 Q CB 0.648 29.332 28.738 -0.091 0.000 1.804 33 Q HN 0.756 nan 8.270 nan 0.000 0.464 34 W N 6.081 127.274 121.300 -0.179 0.000 2.081 34 W HA 0.219 4.879 4.660 -0.000 0.000 0.433 34 W C -0.720 175.780 176.519 -0.032 0.000 0.876 34 W CA 0.065 57.408 57.345 -0.004 0.000 1.631 34 W CB 0.257 29.739 29.460 0.038 0.000 1.757 34 W HN 0.772 nan 8.180 nan 0.000 0.298 35 D N 3.924 124.180 120.400 -0.238 0.000 2.540 35 D HA 0.035 4.675 4.640 -0.000 0.000 0.237 35 D C -0.491 175.558 176.300 -0.419 0.000 1.181 35 D CA 1.066 54.911 54.000 -0.259 0.000 1.119 35 D CB 0.212 40.909 40.800 -0.172 0.000 1.119 35 D HN 0.156 nan 8.370 nan 0.000 0.498 36 S N 1.277 116.728 115.700 -0.415 0.000 2.547 36 S HA 0.189 4.659 4.470 -0.000 0.000 0.270 36 S C -0.060 174.492 174.600 -0.080 0.000 1.150 36 S CA -0.845 57.146 58.200 -0.348 0.000 0.850 36 S CB 1.236 64.029 63.200 -0.679 0.000 1.118 36 S HN 0.103 nan 8.310 nan 0.000 0.461 37 D N 1.154 121.539 120.400 -0.025 0.000 2.323 37 D HA 0.115 4.755 4.640 -0.000 0.000 0.209 37 D C 0.030 176.390 176.300 0.099 0.000 0.973 37 D CA 0.662 54.682 54.000 0.033 0.000 0.874 37 D CB 0.202 41.009 40.800 0.012 0.000 0.930 37 D HN 0.464 nan 8.370 nan 0.000 0.521 38 E N 1.935 122.226 120.200 0.152 0.000 2.331 38 E HA 0.188 4.538 4.350 -0.000 0.000 0.272 38 E C -2.133 174.691 176.600 0.375 0.000 1.036 38 E CA -2.246 54.289 56.400 0.225 0.000 0.864 38 E CB 0.453 30.288 29.700 0.226 0.000 1.035 38 E HN 0.087 nan 8.360 nan 0.000 0.408 39 P HA 0.030 nan 4.420 nan 0.000 0.265 39 P C 0.151 177.442 177.300 -0.015 0.000 1.193 39 P CA 0.084 63.249 63.100 0.108 0.000 0.765 39 P CB 0.688 32.414 31.700 0.044 0.000 0.823 40 I N 4.891 125.230 120.570 -0.385 0.000 2.496 40 I HA 0.181 4.351 4.170 -0.000 0.000 0.285 40 I C -2.045 173.744 176.117 -0.547 0.000 1.080 40 I CA -2.501 58.156 61.300 -1.073 0.000 1.404 40 I CB 0.855 38.076 38.000 -1.299 0.000 1.403 40 I HN 0.234 nan 8.210 nan 0.000 0.539 41 P HA 0.109 nan 4.420 nan 0.000 0.271 41 P C 0.184 177.355 177.300 -0.215 0.000 1.218 41 P CA -0.190 62.764 63.100 -0.244 0.000 0.780 41 P CB 0.941 32.540 31.700 -0.169 0.000 0.901 42 A N 2.805 125.551 122.820 -0.122 0.000 1.986 42 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 42 A C 2.061 179.581 177.584 -0.107 0.000 1.171 42 A CA 2.196 54.174 52.037 -0.098 0.000 0.640 42 A CB -0.958 18.006 19.000 -0.060 0.000 0.811 42 A HN 0.534 nan 8.150 nan 0.000 0.451 43 K N 0.279 120.620 120.400 -0.099 0.000 1.987 43 K HA -0.181 4.139 4.320 -0.000 0.000 0.216 43 K C 1.685 178.224 176.600 -0.102 0.000 1.051 43 K CA 2.143 58.381 56.287 -0.082 0.000 0.942 43 K CB -0.384 32.084 32.500 -0.053 0.000 0.722 43 K HN 0.375 nan 8.250 nan 0.000 0.444 44 E N 0.343 120.465 120.200 -0.131 0.000 2.268 44 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 44 E C 1.932 178.433 176.600 -0.165 0.000 0.995 44 E CA 0.719 57.049 56.400 -0.117 0.000 0.836 44 E CB -0.383 29.250 29.700 -0.113 0.000 0.763 44 E HN 0.337 nan 8.360 nan 0.000 0.491 45 L N 1.541 122.653 121.223 -0.185 0.000 2.027 45 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 45 L C 1.909 178.645 176.870 -0.223 0.000 1.074 45 L CA 1.833 56.589 54.840 -0.140 0.000 0.745 45 L CB -0.385 41.625 42.059 -0.081 0.000 0.898 45 L HN -0.034 nan 8.230 nan 0.000 0.433 46 E N -0.831 119.269 120.200 -0.166 0.000 2.110 46 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 46 E C 2.219 178.704 176.600 -0.191 0.000 0.988 46 E CA 0.678 56.986 56.400 -0.155 0.000 0.804 46 E CB -0.091 29.544 29.700 -0.109 0.000 0.745 46 E HN 0.302 nan 8.360 nan 0.000 0.458 47 R N 0.231 120.617 120.500 -0.189 0.000 2.092 47 R HA -0.102 4.238 4.340 -0.000 0.000 0.226 47 R C 2.452 178.581 176.300 -0.284 0.000 1.140 47 R CA 1.670 57.665 56.100 -0.175 0.000 0.910 47 R CB -1.307 28.927 30.300 -0.111 0.000 0.822 47 R HN 0.306 nan 8.270 nan 0.000 0.433 48 G N 0.612 109.132 108.800 -0.466 0.000 2.503 48 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.221 48 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.221 48 G C 1.421 175.780 174.900 -0.901 0.000 1.131 48 G CA 1.556 46.158 45.100 -0.829 0.000 0.756 48 G HN 0.391 nan 8.290 nan 0.000 0.572 49 V N -1.256 118.172 119.914 -0.811 0.000 3.078 49 V HA 0.462 4.582 4.120 -0.000 0.000 0.265 49 V C 1.641 177.622 176.094 -0.188 0.000 1.122 49 V CA 0.207 62.284 62.300 -0.372 0.000 1.141 49 V CB -1.259 30.447 31.823 -0.195 0.000 0.735 49 V HN 0.518 nan 8.190 nan 0.000 0.498 50 A N 1.042 123.744 122.820 -0.197 0.000 2.561 50 A HA 0.428 4.748 4.320 -0.000 0.000 0.251 50 A C 1.763 179.293 177.584 -0.090 0.000 1.062 50 A CA 0.813 52.777 52.037 -0.122 0.000 0.761 50 A CB -1.051 17.884 19.000 -0.108 0.000 0.986 50 A HN 2.034 nan 8.150 nan 0.000 0.510 51 G N 1.356 110.100 108.800 -0.092 0.000 2.189 51 G HA2 0.061 4.021 3.960 -0.000 0.000 0.267 51 G HA3 0.061 4.021 3.960 -0.000 0.000 0.267 51 G C 0.699 175.511 174.900 -0.146 0.000 0.975 51 G CA 0.675 45.705 45.100 -0.116 0.000 0.644 51 G HN 2.317 nan 8.290 nan 0.000 0.537 52 A N -0.193 122.593 122.820 -0.057 0.000 2.520 52 A HA 0.534 4.854 4.320 -0.000 0.000 0.245 52 A C 1.022 178.605 177.584 -0.002 0.000 1.072 52 A CA 1.156 53.225 52.037 0.052 0.000 0.761 52 A CB 0.045 19.110 19.000 0.107 0.000 1.004 52 A HN 0.577 nan 8.150 nan 0.000 0.499 53 H N 1.557 120.654 119.070 0.045 0.000 2.470 53 H HA 0.297 4.853 4.556 -0.000 0.000 0.289 53 H C 1.194 176.547 175.328 0.042 0.000 1.033 53 H CA 1.135 57.204 56.048 0.035 0.000 1.331 53 H CB 0.259 30.040 29.762 0.032 0.000 1.414 53 H HN 0.774 nan 8.280 nan 0.000 0.545 54 G N -0.302 108.613 108.800 0.192 0.000 2.706 54 G HA2 0.468 4.428 3.960 -0.000 0.000 0.297 54 G HA3 0.468 4.428 3.960 -0.000 0.000 0.297 54 G C -1.893 173.092 174.900 0.141 0.000 1.403 54 G CA -0.728 44.452 45.100 0.134 0.000 0.954 54 G HN 0.126 nan 8.290 nan 0.000 0.500 55 L N 1.311 122.606 121.223 0.121 0.000 2.329 55 L HA 0.786 5.126 4.340 -0.000 0.000 0.279 55 L C -0.878 176.051 176.870 0.099 0.000 1.014 55 L CA -0.994 53.931 54.840 0.142 0.000 0.814 55 L CB 1.686 43.828 42.059 0.139 0.000 1.257 55 L HN 0.468 nan 8.230 nan 0.000 0.424 56 L N 6.335 127.602 121.223 0.073 0.000 2.324 56 L HA 0.529 4.869 4.340 -0.000 0.000 0.274 56 L C -0.620 176.266 176.870 0.028 0.000 1.012 56 L CA -0.401 54.462 54.840 0.038 0.000 0.859 56 L CB 0.585 42.646 42.059 0.003 0.000 1.224 56 L HN 0.999 nan 8.230 nan 0.000 0.429 57 C N 2.624 121.964 119.300 0.067 0.000 2.871 57 C HA 0.760 5.220 4.460 -0.000 0.000 0.351 57 C C -0.010 175.025 174.990 0.074 0.000 1.338 57 C CA -1.040 58.025 59.018 0.078 0.000 1.686 57 C CB 1.186 29.006 27.740 0.132 0.000 2.135 57 C HN 0.735 nan 8.230 nan 0.000 0.476 58 L N 0.156 121.406 121.223 0.045 0.000 2.267 58 L HA 0.516 4.856 4.340 -0.000 0.000 0.264 58 L C 0.936 177.681 176.870 -0.209 0.000 1.021 58 L CA -0.878 53.938 54.840 -0.039 0.000 0.861 58 L CB 1.144 43.170 42.059 -0.056 0.000 1.443 58 L HN 0.870 nan 8.230 nan 0.000 0.475 59 L N -1.784 119.198 121.223 -0.400 0.000 2.627 59 L HA 0.131 4.471 4.340 -0.000 0.000 0.233 59 L C 1.637 178.256 176.870 -0.418 0.000 1.144 59 L CA 0.910 55.249 54.840 -0.836 0.000 0.892 59 L CB -0.488 41.280 42.059 -0.485 0.000 1.039 59 L HN 0.637 nan 8.230 nan 0.000 0.442 60 S N -2.532 113.051 115.700 -0.196 0.000 2.503 60 S HA 0.145 4.615 4.470 -0.000 0.000 0.215 60 S C 0.394 174.997 174.600 0.006 0.000 1.003 60 S CA -0.406 57.754 58.200 -0.067 0.000 0.910 60 S CB -0.325 62.852 63.200 -0.038 0.000 0.790 60 S HN 0.430 nan 8.310 nan 0.000 0.514 61 D N 2.174 122.600 120.400 0.045 0.000 2.280 61 D HA 0.120 4.760 4.640 -0.000 0.000 0.243 61 D C -0.753 175.700 176.300 0.256 0.000 1.129 61 D CA -0.068 54.007 54.000 0.125 0.000 0.848 61 D CB 0.577 41.446 40.800 0.115 0.000 1.107 61 D HN 0.507 nan 8.370 nan 0.000 0.471 62 H N 2.229 121.350 119.070 0.086 0.000 2.969 62 H HA 0.239 4.795 4.556 0.000 0.000 0.269 62 H C -0.639 174.719 175.328 0.049 0.000 1.223 62 H CA -0.686 55.412 56.048 0.082 0.000 1.400 62 H CB 0.405 30.195 29.762 0.046 0.000 1.500 62 H HN 0.028 nan 8.280 nan 0.000 0.486 63 V N 7.463 127.464 119.914 0.146 0.000 2.356 63 V HA 0.041 4.161 4.120 -0.000 0.000 0.258 63 V C 0.266 176.299 176.094 -0.100 0.000 1.065 63 V CA -0.230 62.068 62.300 -0.003 0.000 0.935 63 V CB 0.408 32.244 31.823 0.022 0.000 1.061 63 V HN 0.812 nan 8.190 nan 0.000 0.484 64 D N 3.667 123.928 120.400 -0.233 0.000 2.654 64 D HA 0.236 4.876 4.640 -0.000 0.000 0.255 64 D C 1.002 177.217 176.300 -0.142 0.000 1.101 64 D CA -0.959 52.898 54.000 -0.240 0.000 1.116 64 D CB 1.546 42.069 40.800 -0.462 0.000 1.348 64 D HN 0.140 nan 8.370 nan 0.000 0.609 65 K N -0.065 120.269 120.400 -0.109 0.000 2.044 65 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 65 K C 2.083 178.636 176.600 -0.079 0.000 1.049 65 K CA 1.288 57.529 56.287 -0.076 0.000 0.927 65 K CB 0.011 32.477 32.500 -0.057 0.000 0.713 65 K HN 0.296 nan 8.250 nan 0.000 0.443 66 R N 0.150 120.593 120.500 -0.095 0.000 2.113 66 R HA -0.173 4.167 4.340 -0.000 0.000 0.244 66 R C 2.315 178.565 176.300 -0.084 0.000 1.142 66 R CA 1.847 57.897 56.100 -0.085 0.000 0.953 66 R CB -0.328 29.916 30.300 -0.093 0.000 0.860 66 R HN 0.271 nan 8.270 nan 0.000 0.438 67 I N 0.818 121.331 120.570 -0.096 0.000 2.162 67 I HA -0.214 3.956 4.170 -0.000 0.000 0.238 67 I C 2.385 178.463 176.117 -0.065 0.000 1.076 67 I CA 1.309 62.561 61.300 -0.080 0.000 1.353 67 I CB -1.179 36.777 38.000 -0.073 0.000 1.063 67 I HN 0.187 nan 8.210 nan 0.000 0.408 68 L N 0.499 121.686 121.223 -0.059 0.000 2.089 68 L HA -0.271 4.069 4.340 -0.000 0.000 0.213 68 L C 2.039 178.880 176.870 -0.049 0.000 1.079 68 L CA 1.443 56.255 54.840 -0.046 0.000 0.758 68 L CB -0.712 41.321 42.059 -0.043 0.000 0.891 68 L HN 0.285 nan 8.230 nan 0.000 0.433 69 D N -0.271 120.097 120.400 -0.053 0.000 2.277 69 D HA -0.021 4.619 4.640 -0.000 0.000 0.208 69 D C 2.180 178.447 176.300 -0.056 0.000 0.962 69 D CA 1.180 55.150 54.000 -0.050 0.000 0.865 69 D CB 0.245 41.017 40.800 -0.047 0.000 0.939 69 D HN 0.326 nan 8.370 nan 0.000 0.510 70 A N 0.857 123.638 122.820 -0.065 0.000 2.016 70 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 70 A C 2.227 179.762 177.584 -0.082 0.000 1.162 70 A CA 1.421 53.413 52.037 -0.074 0.000 0.662 70 A CB -0.167 18.781 19.000 -0.086 0.000 0.812 70 A HN 0.200 nan 8.150 nan 0.000 0.450 71 A N -1.197 121.578 122.820 -0.075 0.000 1.970 71 A HA 0.443 4.763 4.320 -0.000 0.000 0.216 71 A C 1.713 179.252 177.584 -0.074 0.000 1.170 71 A CA 1.565 53.557 52.037 -0.075 0.000 0.645 71 A CB -0.991 17.978 19.000 -0.052 0.000 0.816 71 A HN 2.059 nan 8.150 nan 0.000 0.447 72 G N -2.230 106.533 108.800 -0.063 0.000 2.681 72 G HA2 0.161 4.121 3.960 -0.000 0.000 0.220 72 G HA3 0.161 4.121 3.960 -0.000 0.000 0.220 72 G C 0.991 175.855 174.900 -0.060 0.000 1.353 72 G CA 0.437 45.501 45.100 -0.061 0.000 0.872 72 G HN 1.405 nan 8.290 nan 0.000 0.557 73 A N -0.667 122.118 122.820 -0.059 0.000 1.978 73 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 73 A C 2.210 179.753 177.584 -0.069 0.000 1.170 73 A CA 2.420 54.425 52.037 -0.053 0.000 0.636 73 A CB -0.534 18.439 19.000 -0.044 0.000 0.810 73 A HN 0.777 nan 8.150 nan 0.000 0.448 74 N N -0.312 118.316 118.700 -0.120 0.000 2.205 74 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 74 N C 0.590 176.032 175.510 -0.113 0.000 1.015 74 N CA 0.430 53.362 53.050 -0.196 0.000 0.862 74 N CB -0.742 37.477 38.487 -0.446 0.000 0.986 74 N HN 0.445 nan 8.380 nan 0.000 0.429 75 L N 2.604 123.785 121.223 -0.071 0.000 2.700 75 L HA -0.098 4.242 4.340 -0.000 0.000 0.272 75 L C 1.314 178.191 176.870 0.011 0.000 1.176 75 L CA 0.709 55.542 54.840 -0.012 0.000 0.961 75 L CB 0.259 42.312 42.059 -0.011 0.000 1.249 75 L HN 0.235 nan 8.230 nan 0.000 0.487 76 K N 3.791 124.218 120.400 0.044 0.000 2.491 76 K HA 0.294 4.614 4.320 -0.000 0.000 0.211 76 K C -0.459 176.170 176.600 0.049 0.000 1.210 76 K CA -0.129 56.185 56.287 0.046 0.000 1.003 76 K CB 0.821 33.359 32.500 0.064 0.000 1.009 76 K HN 0.342 nan 8.250 nan 0.000 0.577 77 V N 1.946 121.894 119.914 0.058 0.000 2.789 77 V HA 0.419 4.539 4.120 -0.000 0.000 0.300 77 V C -1.993 174.138 176.094 0.061 0.000 1.184 77 V CA -0.724 61.610 62.300 0.056 0.000 0.930 77 V CB 1.811 33.669 31.823 0.058 0.000 1.041 77 V HN 0.227 nan 8.190 nan 0.000 0.430 78 I N 5.195 125.797 120.570 0.053 0.000 2.389 78 I HA 0.527 4.697 4.170 -0.000 0.000 0.288 78 I C -0.078 176.078 176.117 0.065 0.000 0.999 78 I CA -0.287 61.048 61.300 0.059 0.000 1.129 78 I CB 2.023 40.048 38.000 0.042 0.000 1.288 78 I HN 0.618 nan 8.210 nan 0.000 0.444 79 S N 4.391 120.136 115.700 0.074 0.000 2.478 79 S HA 0.533 5.003 4.470 -0.000 0.000 0.312 79 S C -0.417 174.239 174.600 0.093 0.000 1.094 79 S CA -0.290 57.957 58.200 0.079 0.000 1.081 79 S CB 1.407 64.645 63.200 0.062 0.000 1.007 79 S HN 0.687 nan 8.310 nan 0.000 0.475 83 V N 0.558 120.550 119.914 0.132 0.000 2.908 83 V HA 0.465 4.585 4.120 -0.000 0.000 0.240 83 V C 1.198 177.391 176.094 0.165 0.000 1.117 83 V CA 1.405 63.815 62.300 0.184 0.000 1.133 83 V CB -0.174 31.736 31.823 0.144 0.000 0.857 83 V HN 1.356 nan 8.190 nan 0.000 0.478 84 G N 1.020 109.905 108.800 0.141 0.000 2.441 84 G HA2 0.394 4.354 3.960 -0.000 0.000 0.243 84 G HA3 0.394 4.354 3.960 -0.000 0.000 0.243 84 G C -0.070 174.957 174.900 0.213 0.000 1.281 84 G CA 0.359 45.543 45.100 0.139 0.000 0.854 84 G HN 0.698 nan 8.290 nan 0.000 0.560 85 I N -0.727 119.925 120.570 0.138 0.000 3.658 85 I HA 0.235 4.405 4.170 -0.000 0.000 0.328 85 I C 1.035 177.151 176.117 -0.002 0.000 1.567 85 I CA -0.679 60.657 61.300 0.059 0.000 1.078 85 I CB 0.906 38.879 38.000 -0.045 0.000 1.267 85 I HN 0.405 nan 8.210 nan 0.000 0.495 86 D N 0.988 121.459 120.400 0.118 0.000 2.317 86 D HA -0.240 4.400 4.640 -0.000 0.000 0.211 86 D C 1.485 177.827 176.300 0.070 0.000 0.966 86 D CA 1.089 55.127 54.000 0.063 0.000 0.876 86 D CB -0.634 40.201 40.800 0.058 0.000 0.927 86 D HN 0.670 nan 8.370 nan 0.000 0.519 87 H N 0.263 119.341 119.070 0.013 0.000 2.556 87 H HA 0.220 4.776 4.556 -0.000 0.000 0.268 87 H C 0.700 176.104 175.328 0.127 0.000 0.996 87 H CA -0.139 55.923 56.048 0.023 0.000 1.157 87 H CB -0.420 29.364 29.762 0.037 0.000 1.355 87 H HN 0.151 nan 8.280 nan 0.000 0.597 88 L N 0.730 121.813 121.223 -0.233 0.000 2.387 88 L HA 0.568 4.908 4.340 -0.000 0.000 0.266 88 L C 0.328 177.190 176.870 -0.013 0.000 1.059 88 L CA -1.016 53.730 54.840 -0.157 0.000 0.801 88 L CB 1.494 43.395 42.059 -0.263 0.000 1.223 88 L HN 0.102 nan 8.230 nan 0.000 0.456 89 A N 2.002 124.819 122.820 -0.005 0.000 2.654 89 A HA 0.459 4.779 4.320 -0.000 0.000 0.345 89 A C 0.784 178.357 177.584 -0.019 0.000 1.368 89 A CA -0.465 51.577 52.037 0.009 0.000 0.895 89 A CB -0.059 18.940 19.000 -0.002 0.000 1.143 89 A HN 0.787 nan 8.150 nan 0.000 0.490 90 L N 0.325 121.534 121.223 -0.023 0.000 2.005 90 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 90 L C 1.234 178.092 176.870 -0.021 0.000 1.072 90 L CA 0.884 55.707 54.840 -0.029 0.000 0.744 90 L CB -0.359 41.679 42.059 -0.035 0.000 0.895 90 L HN 0.478 nan 8.230 nan 0.000 0.433 91 D N 0.009 120.401 120.400 -0.015 0.000 2.429 91 D HA -0.160 4.480 4.640 -0.000 0.000 0.237 91 D C 1.679 177.971 176.300 -0.013 0.000 1.045 91 D CA 0.848 54.840 54.000 -0.012 0.000 0.974 91 D CB 0.120 40.915 40.800 -0.008 0.000 0.871 91 D HN 0.350 nan 8.370 nan 0.000 0.525 92 E N -0.825 119.366 120.200 -0.016 0.000 2.568 92 E HA 0.118 4.468 4.350 -0.000 0.000 0.220 92 E C 1.881 178.468 176.600 -0.020 0.000 0.869 92 E CA -0.107 56.282 56.400 -0.019 0.000 1.268 92 E CB 0.831 30.518 29.700 -0.022 0.000 1.252 92 E HN 0.230 nan 8.360 nan 0.000 0.606 93 I N 0.557 121.114 120.570 -0.022 0.000 2.364 93 I HA -0.079 4.091 4.170 -0.000 0.000 0.241 93 I C 2.499 178.606 176.117 -0.017 0.000 1.082 93 I CA 0.574 61.861 61.300 -0.021 0.000 1.401 93 I CB -0.119 37.865 38.000 -0.027 0.000 1.126 93 I HN -0.072 nan 8.210 nan 0.000 0.429 94 K N 1.217 121.606 120.400 -0.018 0.000 2.113 94 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 94 K C 2.230 178.823 176.600 -0.012 0.000 1.047 94 K CA 1.332 57.610 56.287 -0.015 0.000 0.928 94 K CB -0.011 32.479 32.500 -0.017 0.000 0.716 94 K HN 0.014 nan 8.250 nan 0.000 0.446 95 K N 1.115 121.508 120.400 -0.012 0.000 2.283 95 K HA -0.125 4.195 4.320 -0.000 0.000 0.202 95 K C 1.341 177.935 176.600 -0.010 0.000 1.048 95 K CA 1.291 57.571 56.287 -0.011 0.000 0.948 95 K CB 0.102 32.595 32.500 -0.012 0.000 0.742 95 K HN 0.169 nan 8.250 nan 0.000 0.458 96 R N -1.208 119.285 120.500 -0.011 0.000 2.290 96 R HA 0.069 4.409 4.340 -0.000 0.000 0.197 96 R C 0.896 177.192 176.300 -0.007 0.000 0.913 96 R CA 0.613 56.707 56.100 -0.011 0.000 1.040 96 R CB 0.398 30.689 30.300 -0.014 0.000 0.992 96 R HN 0.416 nan 8.270 nan 0.000 0.500 97 G N 1.727 110.524 108.800 -0.005 0.000 2.157 97 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.248 97 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.248 97 G C 0.296 175.198 174.900 0.003 0.000 0.979 97 G CA -0.182 44.918 45.100 -0.001 0.000 0.650 97 G HN 0.212 nan 8.290 nan 0.000 0.529 98 I N 0.775 121.345 120.570 0.000 0.000 2.775 98 I HA 0.093 4.263 4.170 -0.000 0.000 0.290 98 I C 1.313 177.436 176.117 0.010 0.000 1.203 98 I CA 0.304 61.607 61.300 0.006 0.000 1.433 98 I CB 0.348 38.348 38.000 0.000 0.000 1.354 98 I HN 0.078 nan 8.210 nan 0.000 0.579 99 R N 4.650 125.162 120.500 0.021 0.000 2.312 99 R HA 0.562 4.902 4.340 -0.000 0.000 0.311 99 R C -0.784 175.535 176.300 0.032 0.000 1.004 99 R CA -0.565 55.551 56.100 0.027 0.000 0.902 99 R CB 1.468 31.788 30.300 0.034 0.000 1.073 99 R HN 0.415 nan 8.270 nan 0.000 0.457 100 V N 1.240 121.174 119.914 0.033 0.000 3.096 100 V HA 0.743 4.863 4.120 -0.000 0.000 0.319 100 V C 0.478 176.623 176.094 0.086 0.000 1.082 100 V CA -0.738 61.587 62.300 0.043 0.000 1.022 100 V CB 2.012 33.841 31.823 0.011 0.000 1.103 100 V HN 0.943 nan 8.190 nan 0.000 0.455 101 G N 0.863 109.734 108.800 0.119 0.000 2.739 101 G HA2 0.624 4.584 3.960 -0.000 0.000 0.292 101 G HA3 0.624 4.584 3.960 -0.000 0.000 0.292 101 G C -1.620 173.427 174.900 0.245 0.000 1.444 101 G CA -0.428 44.774 45.100 0.170 0.000 1.144 101 G HN 0.748 nan 8.290 nan 0.000 0.550 102 Y N -0.438 119.878 120.300 0.025 0.000 2.621 102 Y HA 0.847 5.397 4.550 -0.000 0.000 0.334 102 Y C 0.117 176.033 175.900 0.025 0.000 1.074 102 Y CA -1.967 56.152 58.100 0.032 0.000 1.149 102 Y CB 1.800 40.279 38.460 0.032 0.000 1.302 102 Y HN 0.488 nan 8.280 nan 0.000 0.501 103 T N 0.739 115.312 114.554 0.031 0.000 3.401 103 T HA 0.465 4.815 4.350 -0.000 0.000 0.341 103 T C -2.987 171.666 174.700 -0.078 0.000 1.674 103 T CA -1.438 60.611 62.100 -0.085 0.000 1.600 103 T CB 0.484 69.341 68.868 -0.019 0.000 0.974 103 T HN 0.601 nan 8.240 nan 0.000 0.672 104 P HA 0.459 nan 4.420 nan 0.000 0.287 104 P C -0.100 177.147 177.300 -0.087 0.000 1.296 104 P CA -0.078 62.974 63.100 -0.080 0.000 0.811 104 P CB 1.089 32.749 31.700 -0.066 0.000 1.211 105 D N -2.204 118.171 120.400 -0.042 0.000 2.382 105 D HA -0.171 4.469 4.640 -0.000 0.000 0.163 105 D C 1.242 177.523 176.300 -0.031 0.000 1.469 105 D CA 1.865 55.843 54.000 -0.036 0.000 1.338 105 D CB -1.444 39.325 40.800 -0.052 0.000 1.241 105 D HN 0.366 nan 8.370 nan 0.000 0.441 106 V N -0.652 119.239 119.914 -0.037 0.000 3.406 106 V HA 0.111 4.231 4.120 -0.000 0.000 0.263 106 V C 1.718 177.800 176.094 -0.019 0.000 1.172 106 V CA 1.540 63.823 62.300 -0.029 0.000 1.140 106 V CB -0.231 31.572 31.823 -0.034 0.000 0.784 106 V HN 0.263 nan 8.190 nan 0.000 0.467 107 L N -3.701 117.513 121.223 -0.015 0.000 3.217 107 L HA 0.517 4.857 4.340 -0.000 0.000 0.288 107 L C 1.575 178.442 176.870 -0.005 0.000 1.202 107 L CA 0.714 55.548 54.840 -0.010 0.000 1.027 107 L CB -1.050 41.005 42.059 -0.007 0.000 1.427 107 L HN -0.056 nan 8.230 nan 0.000 0.600 108 T N 0.291 114.843 114.554 -0.004 0.000 2.652 108 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 108 T C 1.347 176.043 174.700 -0.007 0.000 1.039 108 T CA 2.278 64.376 62.100 -0.003 0.000 1.153 108 T CB -0.211 68.656 68.868 -0.002 0.000 0.863 108 T HN 0.429 nan 8.240 nan 0.000 0.428 109 D N 0.730 121.125 120.400 -0.008 0.000 2.084 109 D HA -0.066 4.574 4.640 -0.000 0.000 0.194 109 D C 2.372 178.666 176.300 -0.010 0.000 0.990 109 D CA 1.294 55.289 54.000 -0.007 0.000 0.826 109 D CB -0.607 40.190 40.800 -0.004 0.000 0.971 109 D HN 0.298 nan 8.370 nan 0.000 0.453 110 T N 0.583 115.131 114.554 -0.011 0.000 2.720 110 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 110 T C 2.026 176.716 174.700 -0.017 0.000 1.037 110 T CA 1.690 63.781 62.100 -0.016 0.000 1.144 110 T CB -0.398 68.458 68.868 -0.021 0.000 0.864 110 T HN 0.149 nan 8.240 nan 0.000 0.444 111 T N 1.881 116.428 114.554 -0.012 0.000 2.708 111 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 111 T C 2.397 177.085 174.700 -0.020 0.000 1.037 111 T CA 1.179 63.274 62.100 -0.009 0.000 1.146 111 T CB -0.602 68.267 68.868 0.002 0.000 0.865 111 T HN 0.423 nan 8.240 nan 0.000 0.435 112 A N 1.325 124.131 122.820 -0.024 0.000 1.940 112 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 112 A C 2.196 179.755 177.584 -0.041 0.000 1.176 112 A CA 2.104 54.119 52.037 -0.037 0.000 0.631 112 A CB -0.684 18.295 19.000 -0.035 0.000 0.814 112 A HN 0.642 nan 8.150 nan 0.000 0.446 113 E N -0.619 119.564 120.200 -0.029 0.000 2.058 113 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 113 E C 1.922 178.499 176.600 -0.040 0.000 0.997 113 E CA 1.430 57.813 56.400 -0.028 0.000 0.801 113 E CB -0.216 29.475 29.700 -0.016 0.000 0.746 113 E HN 0.512 nan 8.360 nan 0.000 0.450 114 L N 0.564 121.766 121.223 -0.036 0.000 2.131 114 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 114 L C 2.197 179.034 176.870 -0.056 0.000 1.092 114 L CA 1.858 56.674 54.840 -0.039 0.000 0.759 114 L CB -0.403 41.641 42.059 -0.025 0.000 0.903 114 L HN 0.176 nan 8.230 nan 0.000 0.435 115 A N -0.869 121.914 122.820 -0.062 0.000 1.865 115 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 115 A C 2.219 179.735 177.584 -0.114 0.000 1.191 115 A CA 2.227 54.214 52.037 -0.084 0.000 0.623 115 A CB -1.174 17.777 19.000 -0.082 0.000 0.826 115 A HN 0.290 nan 8.150 nan 0.000 0.444 116 V N 0.028 119.867 119.914 -0.126 0.000 2.343 116 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 116 V C 2.765 178.755 176.094 -0.174 0.000 1.051 116 V CA 2.257 64.444 62.300 -0.189 0.000 1.036 116 V CB -0.988 30.717 31.823 -0.197 0.000 0.654 116 V HN 0.559 nan 8.190 nan 0.000 0.451 117 S N 0.294 115.926 115.700 -0.112 0.000 2.365 117 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 117 S C 1.909 176.455 174.600 -0.089 0.000 1.039 117 S CA 1.950 60.098 58.200 -0.086 0.000 1.033 117 S CB -0.490 62.677 63.200 -0.055 0.000 0.887 117 S HN 0.442 nan 8.310 nan 0.000 0.447 118 L N 1.742 122.914 121.223 -0.086 0.000 2.056 118 L HA 0.062 4.402 4.340 -0.000 0.000 0.207 118 L C 2.049 178.866 176.870 -0.088 0.000 1.078 118 L CA 1.384 56.179 54.840 -0.076 0.000 0.749 118 L CB -0.755 41.261 42.059 -0.071 0.000 0.901 118 L HN 0.365 nan 8.230 nan 0.000 0.433 119 L N -1.373 119.774 121.223 -0.126 0.000 1.994 119 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 119 L C 2.421 179.194 176.870 -0.161 0.000 1.071 119 L CA 1.704 56.452 54.840 -0.153 0.000 0.745 119 L CB -0.266 41.641 42.059 -0.253 0.000 0.892 119 L HN 0.286 nan 8.230 nan 0.000 0.431 120 L N -0.576 120.528 121.223 -0.199 0.000 2.017 120 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 120 L C 2.511 179.328 176.870 -0.088 0.000 1.073 120 L CA 1.952 56.693 54.840 -0.166 0.000 0.745 120 L CB -0.969 40.986 42.059 -0.172 0.000 0.894 120 L HN 0.306 nan 8.230 nan 0.000 0.432 121 T N -1.435 113.074 114.554 -0.076 0.000 2.915 121 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 121 T C 1.838 176.510 174.700 -0.047 0.000 1.071 121 T CA 1.642 63.707 62.100 -0.058 0.000 1.132 121 T CB -0.193 68.643 68.868 -0.053 0.000 0.878 121 T HN 0.373 nan 8.240 nan 0.000 0.479 122 T N 1.774 116.306 114.554 -0.036 0.000 2.735 122 T HA -0.096 4.254 4.350 -0.000 0.000 0.256 122 T C 2.519 177.232 174.700 0.023 0.000 1.042 122 T CA 1.401 63.495 62.100 -0.009 0.000 1.147 122 T CB -0.704 68.167 68.868 0.006 0.000 0.865 122 T HN 0.739 nan 8.240 nan 0.000 0.421 123 C N 1.888 121.223 119.300 0.058 0.000 2.432 123 C HA 0.154 4.614 4.460 -0.000 0.000 0.280 123 C C 2.200 177.235 174.990 0.076 0.000 1.353 123 C CA 0.104 59.208 59.018 0.144 0.000 1.766 123 C CB -1.078 26.833 27.740 0.286 0.000 1.924 123 C HN 0.190 nan 8.230 nan 0.000 0.509 124 R N 0.818 121.320 120.500 0.004 0.000 2.334 124 R HA 0.176 4.516 4.340 -0.000 0.000 0.220 124 R C 0.771 177.022 176.300 -0.081 0.000 0.917 124 R CA -0.079 56.000 56.100 -0.034 0.000 1.073 124 R CB -0.826 29.451 30.300 -0.038 0.000 1.056 124 R HN 0.701 nan 8.270 nan 0.000 0.506 125 R N 0.340 120.797 120.500 -0.072 0.000 3.416 125 R HA -0.184 4.156 4.340 -0.000 0.000 0.263 125 R C 0.536 176.751 176.300 -0.141 0.000 1.053 125 R CA 0.170 56.204 56.100 -0.109 0.000 0.705 125 R CB -2.173 28.037 30.300 -0.150 0.000 1.124 125 R HN 0.038 nan 8.270 nan 0.000 0.444 126 L N 0.010 121.167 121.223 -0.111 0.000 2.083 126 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 126 L C -0.505 176.298 176.870 -0.111 0.000 1.083 126 L CA 1.894 56.665 54.840 -0.116 0.000 0.752 126 L CB -0.861 41.149 42.059 -0.083 0.000 0.899 126 L HN 0.147 nan 8.230 nan 0.000 0.433 127 P HA -0.168 nan 4.420 nan 0.000 0.215 127 P C 1.447 178.694 177.300 -0.089 0.000 1.157 127 P CA 1.278 64.335 63.100 -0.072 0.000 0.868 127 P CB 0.074 31.742 31.700 -0.053 0.000 0.788 128 E N -0.437 119.696 120.200 -0.112 0.000 2.058 128 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 128 E C 2.122 178.608 176.600 -0.191 0.000 0.997 128 E CA 1.334 57.653 56.400 -0.136 0.000 0.801 128 E CB -0.670 28.930 29.700 -0.166 0.000 0.746 128 E HN 0.112 nan 8.360 nan 0.000 0.450 129 A N 1.272 123.935 122.820 -0.261 0.000 1.892 129 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 129 A C 2.216 179.662 177.584 -0.229 0.000 1.188 129 A CA 1.501 53.330 52.037 -0.346 0.000 0.631 129 A CB -0.801 17.992 19.000 -0.345 0.000 0.822 129 A HN 0.179 nan 8.150 nan 0.000 0.447 130 I N -0.761 119.719 120.570 -0.151 0.000 2.163 130 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 130 I C 2.576 178.667 176.117 -0.043 0.000 1.085 130 I CA 1.944 63.192 61.300 -0.088 0.000 1.347 130 I CB -0.301 37.662 38.000 -0.061 0.000 1.044 130 I HN 0.430 nan 8.210 nan 0.000 0.408 131 E N 1.021 121.197 120.200 -0.040 0.000 2.150 131 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 131 E C 2.016 178.640 176.600 0.039 0.000 0.985 131 E CA 1.203 57.604 56.400 0.002 0.000 0.814 131 E CB -0.025 29.672 29.700 -0.005 0.000 0.752 131 E HN 0.323 nan 8.360 nan 0.000 0.466 132 E N -0.053 120.160 120.200 0.022 0.000 2.077 132 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 132 E C 2.196 178.928 176.600 0.220 0.000 0.989 132 E CA 1.203 57.689 56.400 0.143 0.000 0.800 132 E CB -0.251 29.523 29.700 0.123 0.000 0.746 132 E HN 0.220 nan 8.360 nan 0.000 0.452 133 V N 1.533 121.526 119.914 0.131 0.000 2.407 133 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 133 V C 2.209 178.437 176.094 0.223 0.000 1.055 133 V CA 1.664 64.107 62.300 0.239 0.000 1.049 133 V CB -0.316 31.565 31.823 0.097 0.000 0.662 133 V HN 0.200 nan 8.190 nan 0.000 0.455 134 K N 1.118 121.598 120.400 0.133 0.000 2.167 134 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 134 K C 1.471 178.134 176.600 0.106 0.000 1.052 134 K CA 1.435 57.787 56.287 0.108 0.000 0.956 134 K CB -0.214 32.327 32.500 0.069 0.000 0.735 134 K HN 0.687 nan 8.250 nan 0.000 0.451 135 N N -0.513 118.255 118.700 0.113 0.000 2.276 135 N HA 0.053 4.793 4.740 -0.000 0.000 0.212 135 N C 0.558 176.135 175.510 0.112 0.000 1.127 135 N CA 0.494 53.603 53.050 0.099 0.000 0.834 135 N CB 0.738 39.277 38.487 0.086 0.000 1.014 135 N HN 0.138 nan 8.380 nan 0.000 0.491 136 G N -1.338 107.547 108.800 0.143 0.000 2.160 136 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.251 136 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.251 136 G C 0.604 175.587 174.900 0.138 0.000 1.008 136 G CA 0.045 45.223 45.100 0.130 0.000 0.724 136 G HN 0.733 nan 8.290 nan 0.000 0.514 137 G N -1.235 107.688 108.800 0.204 0.000 3.523 137 G HA2 0.355 4.315 3.960 -0.000 0.000 0.270 137 G HA3 0.355 4.315 3.960 -0.000 0.000 0.270 137 G C 0.103 175.145 174.900 0.237 0.000 1.134 137 G CA 0.012 45.227 45.100 0.191 0.000 0.825 137 G HN 0.568 nan 8.290 nan 0.000 0.534 138 W N 3.264 124.580 121.300 0.027 0.000 2.347 138 W HA 0.415 5.075 4.660 -0.000 0.000 0.321 138 W C 1.161 177.611 176.519 -0.114 0.000 0.971 138 W CA -1.215 56.104 57.345 -0.042 0.000 1.508 138 W CB 0.390 29.974 29.460 0.206 0.000 1.299 138 W HN 0.103 nan 8.180 nan 0.000 0.399 139 T N 0.286 114.762 114.554 -0.129 0.000 2.558 139 T HA -0.039 4.311 4.350 -0.000 0.000 0.247 139 T C 1.418 175.950 174.700 -0.279 0.000 1.146 139 T CA 2.026 64.004 62.100 -0.204 0.000 1.289 139 T CB -0.409 68.353 68.868 -0.176 0.000 0.905 139 T HN 0.274 nan 8.240 nan 0.000 0.397 140 S N -1.221 114.406 115.700 -0.122 0.000 3.248 140 S HA 0.354 4.824 4.470 -0.000 0.000 0.173 140 S C -1.504 173.294 174.600 0.329 0.000 0.749 140 S CA -0.448 57.750 58.200 -0.003 0.000 0.898 140 S CB 0.088 63.311 63.200 0.038 0.000 1.027 140 S HN 0.690 nan 8.310 nan 0.000 0.781 141 W N 2.757 124.114 121.300 0.094 0.000 2.534 141 W HA 0.518 5.178 4.660 0.001 0.000 0.292 141 W C -1.768 174.813 176.519 0.103 0.000 1.027 141 W CA -0.391 57.064 57.345 0.182 0.000 1.304 141 W CB 0.806 30.362 29.460 0.161 0.000 1.187 141 W HN 0.188 nan 8.180 nan 0.000 0.356 142 K N 7.255 127.555 120.400 -0.167 0.000 2.231 142 K HA 0.158 4.478 4.320 -0.000 0.000 0.275 142 K C -1.282 175.091 176.600 -0.377 0.000 1.105 142 K CA -1.317 54.841 56.287 -0.214 0.000 0.931 142 K CB 1.164 33.502 32.500 -0.271 0.000 1.296 142 K HN 0.168 nan 8.250 nan 0.000 0.446 143 P HA -0.231 nan 4.420 nan 0.000 0.221 143 P C 0.320 177.464 177.300 -0.260 0.000 1.153 143 P CA 1.376 64.178 63.100 -0.496 0.000 0.858 143 P CB 0.240 31.881 31.700 -0.098 0.000 0.783 144 L N -4.361 116.788 121.223 -0.122 0.000 2.728 144 L HA 0.322 4.662 4.340 -0.000 0.000 0.238 144 L C 0.762 177.640 176.870 0.013 0.000 1.143 144 L CA -0.417 54.390 54.840 -0.056 0.000 0.937 144 L CB -0.805 41.239 42.059 -0.023 0.000 1.225 144 L HN -0.037 nan 8.230 nan 0.000 0.507 145 W N 0.696 121.863 121.300 -0.222 0.000 2.238 145 W HA 0.387 5.046 4.660 -0.001 0.000 0.321 145 W C 0.828 177.233 176.519 -0.190 0.000 1.293 145 W CA -0.799 56.435 57.345 -0.184 0.000 1.204 145 W CB 0.607 29.957 29.460 -0.183 0.000 1.167 145 W HN 0.052 nan 8.180 nan 0.000 0.553 146 L N 4.543 125.466 121.223 -0.501 0.000 3.976 146 L HA -0.343 3.997 4.340 -0.000 0.000 0.418 146 L C 0.200 176.877 176.870 -0.321 0.000 1.177 146 L CA 0.043 54.544 54.840 -0.565 0.000 0.968 146 L CB -2.184 39.323 42.059 -0.920 0.000 1.933 146 L HN 0.381 nan 8.230 nan 0.000 0.976 147 C N -0.060 119.105 119.300 -0.225 0.000 2.539 147 C HA 0.713 5.173 4.460 -0.000 0.000 0.392 147 C C 1.365 176.224 174.990 -0.218 0.000 1.269 147 C CA 0.298 59.195 59.018 -0.201 0.000 2.250 147 C CB 0.535 28.165 27.740 -0.183 0.000 2.584 147 C HN 0.644 nan 8.230 nan 0.000 0.589 148 G N 0.443 109.109 108.800 -0.224 0.000 3.166 148 G HA2 0.622 4.582 3.960 -0.000 0.000 0.267 148 G HA3 0.622 4.582 3.960 -0.000 0.000 0.267 148 G C -1.935 172.741 174.900 -0.373 0.000 1.256 148 G CA -0.290 44.678 45.100 -0.219 0.000 0.859 148 G HN 0.588 nan 8.290 nan 0.000 0.590 149 Y N -0.057 120.274 120.300 0.052 0.000 2.352 149 Y HA 0.595 5.145 4.550 -0.000 0.000 0.339 149 Y C 0.917 176.968 175.900 0.252 0.000 0.992 149 Y CA -0.123 58.039 58.100 0.104 0.000 1.100 149 Y CB 2.082 40.556 38.460 0.023 0.000 1.192 149 Y HN 0.696 nan 8.280 nan 0.000 0.458 150 G N 1.628 110.625 108.800 0.329 0.000 2.642 150 G HA2 0.434 4.394 3.960 -0.000 0.000 0.291 150 G HA3 0.434 4.394 3.960 -0.000 0.000 0.291 150 G C 0.216 175.339 174.900 0.371 0.000 1.345 150 G CA -0.751 44.514 45.100 0.275 0.000 1.043 150 G HN 0.721 nan 8.290 nan 0.000 0.528 151 L N -0.419 120.913 121.223 0.182 0.000 2.477 151 L HA 0.132 4.472 4.340 -0.000 0.000 0.220 151 L C 1.251 178.234 176.870 0.188 0.000 1.106 151 L CA 0.203 55.142 54.840 0.166 0.000 0.851 151 L CB -0.146 41.911 42.059 -0.003 0.000 0.994 151 L HN 0.339 nan 8.230 nan 0.000 0.462 152 T N 1.794 116.451 114.554 0.172 0.000 2.800 152 T HA -0.125 4.225 4.350 -0.000 0.000 0.283 152 T C 0.676 175.445 174.700 0.116 0.000 0.999 152 T CA 0.452 62.632 62.100 0.134 0.000 1.176 152 T CB 0.158 69.091 68.868 0.108 0.000 0.973 152 T HN 0.327 nan 8.240 nan 0.000 0.519 153 Q N 0.392 120.251 119.800 0.098 0.000 2.457 153 Q HA -0.214 4.126 4.340 -0.000 0.000 0.283 153 Q C 0.406 176.442 176.000 0.060 0.000 1.234 153 Q CA 0.658 56.505 55.803 0.074 0.000 0.877 153 Q CB -1.311 27.465 28.738 0.063 0.000 1.250 153 Q HN 0.921 nan 8.270 nan 0.000 0.481 154 S N -1.770 113.971 115.700 0.068 0.000 2.730 154 S HA 0.637 5.107 4.470 -0.000 0.000 0.284 154 S C 0.141 174.717 174.600 -0.039 0.000 1.153 154 S CA -0.646 57.591 58.200 0.062 0.000 0.995 154 S CB 2.254 65.586 63.200 0.221 0.000 1.058 154 S HN 0.091 nan 8.310 nan 0.000 0.552 155 T N 1.539 116.064 114.554 -0.049 0.000 2.772 155 T HA 0.531 4.881 4.350 -0.000 0.000 0.288 155 T C -0.812 173.825 174.700 -0.105 0.000 0.994 155 T CA -0.478 61.554 62.100 -0.114 0.000 0.951 155 T CB 0.885 69.709 68.868 -0.074 0.000 0.933 155 T HN 0.523 nan 8.240 nan 0.000 0.447 156 V N 3.117 122.872 119.914 -0.266 0.000 2.398 156 V HA 0.723 4.843 4.120 -0.000 0.000 0.286 156 V C 0.726 176.808 176.094 -0.020 0.000 1.026 156 V CA -0.741 61.471 62.300 -0.145 0.000 0.868 156 V CB 1.730 33.358 31.823 -0.325 0.000 0.982 156 V HN 0.980 nan 8.190 nan 0.000 0.443 157 G N 5.033 113.869 108.800 0.060 0.000 2.368 157 G HA2 0.729 4.689 3.960 -0.000 0.000 0.320 157 G HA3 0.729 4.689 3.960 -0.000 0.000 0.320 157 G C -0.875 174.097 174.900 0.120 0.000 1.158 157 G CA -0.436 44.722 45.100 0.097 0.000 0.912 157 G HN 0.602 nan 8.290 nan 0.000 0.456 158 I N 2.129 122.791 120.570 0.155 0.000 2.433 158 I HA 0.359 4.529 4.170 -0.000 0.000 0.292 158 I C -0.339 175.871 176.117 0.155 0.000 1.001 158 I CA -0.746 60.630 61.300 0.126 0.000 1.119 158 I CB 2.450 40.508 38.000 0.097 0.000 1.289 158 I HN 0.248 nan 8.210 nan 0.000 0.438 159 I N 5.565 126.202 120.570 0.112 0.000 2.412 159 I HA 0.487 4.657 4.170 -0.000 0.000 0.279 159 I C 0.164 176.340 176.117 0.098 0.000 1.063 159 I CA -0.209 61.164 61.300 0.122 0.000 1.193 159 I CB 0.974 39.034 38.000 0.100 0.000 1.370 159 I HN 0.847 nan 8.210 nan 0.000 0.479 160 G N 4.918 113.797 108.800 0.131 0.000 2.372 160 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.207 160 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.207 160 G C -0.407 174.531 174.900 0.063 0.000 1.473 160 G CA -0.844 44.311 45.100 0.091 0.000 1.183 160 G HN 0.410 nan 8.290 nan 0.000 0.607 161 L N 1.880 123.151 121.223 0.081 0.000 2.700 161 L HA 0.344 4.684 4.340 -0.000 0.000 0.240 161 L C 1.892 178.743 176.870 -0.032 0.000 1.162 161 L CA 1.373 56.191 54.840 -0.037 0.000 0.874 161 L CB -0.538 41.480 42.059 -0.069 0.000 1.001 161 L HN 0.755 nan 8.230 nan 0.000 0.447 162 G N -1.197 107.606 108.800 0.005 0.000 2.750 162 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.250 162 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.250 162 G C 0.923 175.818 174.900 -0.009 0.000 1.230 162 G CA -0.467 44.638 45.100 0.007 0.000 0.883 162 G HN 0.129 nan 8.290 nan 0.000 0.573 163 R N 0.015 120.517 120.500 0.004 0.000 2.096 163 R HA -0.117 4.223 4.340 -0.000 0.000 0.240 163 R C 2.573 178.865 176.300 -0.013 0.000 1.139 163 R CA 1.132 57.231 56.100 -0.001 0.000 0.952 163 R CB -0.889 29.418 30.300 0.012 0.000 0.854 163 R HN 0.668 nan 8.270 nan 0.000 0.436 164 I N 0.040 120.606 120.570 -0.008 0.000 2.163 164 I HA -0.233 3.937 4.170 -0.000 0.000 0.243 164 I C 2.489 178.579 176.117 -0.045 0.000 1.085 164 I CA 1.741 63.029 61.300 -0.019 0.000 1.347 164 I CB -0.814 37.182 38.000 -0.006 0.000 1.044 164 I HN 0.283 nan 8.210 nan 0.000 0.408 165 G N 0.037 108.808 108.800 -0.048 0.000 2.442 165 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 165 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 165 G C 1.524 176.331 174.900 -0.155 0.000 1.141 165 G CA 0.572 45.624 45.100 -0.080 0.000 0.763 165 G HN 0.461 nan 8.290 nan 0.000 0.554 166 Q N 0.265 119.990 119.800 -0.125 0.000 2.084 166 Q HA 0.037 4.377 4.340 -0.000 0.000 0.202 166 Q C 2.944 178.857 176.000 -0.144 0.000 0.978 166 Q CA 1.326 57.047 55.803 -0.138 0.000 0.844 166 Q CB -0.274 28.454 28.738 -0.017 0.000 0.898 166 Q HN 0.480 nan 8.270 nan 0.000 0.426 167 A N 0.673 123.443 122.820 -0.085 0.000 1.968 167 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 167 A C 2.026 179.552 177.584 -0.095 0.000 1.169 167 A CA 0.821 52.822 52.037 -0.060 0.000 0.638 167 A CB -0.449 18.532 19.000 -0.032 0.000 0.812 167 A HN 0.275 nan 8.150 nan 0.000 0.446 168 I N -0.237 120.258 120.570 -0.126 0.000 2.163 168 I HA -0.256 3.914 4.170 -0.000 0.000 0.240 168 I C 2.995 179.001 176.117 -0.185 0.000 1.081 168 I CA 1.104 62.329 61.300 -0.125 0.000 1.353 168 I CB -0.387 37.550 38.000 -0.105 0.000 1.054 168 I HN 0.330 nan 8.210 nan 0.000 0.407 169 A N 0.732 123.329 122.820 -0.373 0.000 1.908 169 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 169 A C 2.429 179.626 177.584 -0.646 0.000 1.181 169 A CA 1.938 53.525 52.037 -0.751 0.000 0.627 169 A CB -0.739 17.290 19.000 -1.619 0.000 0.818 169 A HN 0.376 nan 8.150 nan 0.000 0.445 170 R N -0.548 119.743 120.500 -0.349 0.000 2.105 170 R HA -0.129 4.211 4.340 -0.000 0.000 0.239 170 R C 2.225 178.549 176.300 0.039 0.000 1.135 170 R CA 1.744 57.859 56.100 0.024 0.000 0.967 170 R CB -0.177 30.168 30.300 0.075 0.000 0.861 170 R HN 0.516 nan 8.270 nan 0.000 0.442 171 R N -0.316 120.192 120.500 0.014 0.000 2.161 171 R HA 0.071 4.411 4.340 -0.000 0.000 0.213 171 R C 2.103 178.542 176.300 0.233 0.000 1.055 171 R CA 0.707 56.872 56.100 0.108 0.000 0.996 171 R CB 0.078 30.411 30.300 0.055 0.000 0.901 171 R HN 0.252 nan 8.270 nan 0.000 0.456 172 L N 0.393 121.701 121.223 0.141 0.000 2.270 172 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 172 L C 2.389 179.578 176.870 0.531 0.000 1.104 172 L CA 0.694 55.696 54.840 0.271 0.000 0.804 172 L CB -0.317 41.882 42.059 0.233 0.000 0.937 172 L HN 0.117 nan 8.230 nan 0.000 0.450 173 K N 1.304 121.918 120.400 0.356 0.000 2.032 173 K HA -0.222 4.098 4.320 -0.000 0.000 0.218 173 K C -0.622 176.178 176.600 0.334 0.000 1.054 173 K CA 2.101 58.615 56.287 0.378 0.000 0.941 173 K CB -0.922 31.681 32.500 0.172 0.000 0.720 173 K HN 0.150 nan 8.250 nan 0.000 0.449 174 P HA -0.114 nan 4.420 nan 0.000 0.226 174 P C -0.050 177.226 177.300 -0.040 0.000 1.146 174 P CA 0.958 64.084 63.100 0.042 0.000 0.773 174 P CB -0.011 31.640 31.700 -0.080 0.000 0.772 175 F N -0.582 119.420 119.950 0.087 0.000 2.843 175 F HA 0.319 4.846 4.527 0.000 0.000 0.290 175 F C 1.914 177.756 175.800 0.070 0.000 1.221 175 F CA 0.567 58.600 58.000 0.055 0.000 1.413 175 F CB -0.873 38.138 39.000 0.017 0.000 1.019 175 F HN 0.012 nan 8.300 nan 0.000 0.512 176 G N -0.672 108.238 108.800 0.184 0.000 3.127 176 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.280 176 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.280 176 G C 0.036 175.051 174.900 0.192 0.000 1.491 176 G CA -0.387 44.806 45.100 0.154 0.000 1.029 176 G HN 0.437 nan 8.290 nan 0.000 0.582 177 V N 1.080 121.087 119.914 0.156 0.000 4.178 177 V HA -0.162 3.958 4.120 -0.000 0.000 0.505 177 V C 1.332 177.509 176.094 0.138 0.000 0.684 177 V CA 2.899 65.243 62.300 0.074 0.000 1.964 177 V CB -0.817 30.998 31.823 -0.014 0.000 2.333 177 V HN 1.578 nan 8.190 nan 0.000 0.509 178 Q N 3.708 123.550 119.800 0.071 0.000 2.188 178 Q HA 0.402 4.742 4.340 -0.000 0.000 0.212 178 Q C 0.526 176.599 176.000 0.122 0.000 0.846 178 Q CA -0.123 55.754 55.803 0.123 0.000 0.989 178 Q CB 0.914 29.705 28.738 0.088 0.000 1.114 178 Q HN 0.830 nan 8.270 nan 0.000 0.488 179 R N 0.165 120.689 120.500 0.039 0.000 2.678 179 R HA 0.302 4.642 4.340 -0.000 0.000 0.267 179 R C -2.128 174.123 176.300 -0.082 0.000 1.173 179 R CA -0.344 55.804 56.100 0.080 0.000 1.061 179 R CB 0.920 31.243 30.300 0.038 0.000 1.262 179 R HN 0.151 nan 8.270 nan 0.000 0.427 180 F N 6.122 126.180 119.950 0.179 0.000 2.443 180 F HA 0.371 4.898 4.527 0.000 0.000 0.369 180 F C 0.146 176.076 175.800 0.215 0.000 1.090 180 F CA -0.649 57.454 58.000 0.172 0.000 1.129 180 F CB 1.101 40.205 39.000 0.174 0.000 1.367 180 F HN 0.162 nan 8.300 nan 0.000 0.465 181 L N 3.225 124.606 121.223 0.264 0.000 2.466 181 L HA 0.443 4.783 4.340 -0.000 0.000 0.257 181 L C -0.600 176.471 176.870 0.334 0.000 1.189 181 L CA -0.830 54.151 54.840 0.234 0.000 0.813 181 L CB 0.555 42.658 42.059 0.074 0.000 1.118 181 L HN 0.551 nan 8.230 nan 0.000 0.471 182 Y N -1.427 118.949 120.300 0.127 0.000 2.604 182 Y HA 0.689 5.239 4.550 -0.000 0.000 0.331 182 Y C -1.224 174.744 175.900 0.112 0.000 1.158 182 Y CA -0.942 57.248 58.100 0.151 0.000 1.056 182 Y CB 1.609 40.203 38.460 0.223 0.000 1.330 182 Y HN 0.451 nan 8.280 nan 0.000 0.457 183 T N 1.811 116.447 114.554 0.137 0.000 2.982 183 T HA 0.789 5.139 4.350 -0.000 0.000 0.321 183 T C -0.404 174.463 174.700 0.277 0.000 1.229 183 T CA -0.202 61.918 62.100 0.033 0.000 1.044 183 T CB 1.660 70.401 68.868 -0.212 0.000 1.184 183 T HN 1.452 nan 8.240 nan 0.000 0.477 184 G N 1.404 110.424 108.800 0.367 0.000 2.588 184 G HA2 0.427 4.387 3.960 -0.000 0.000 0.281 184 G HA3 0.427 4.387 3.960 -0.000 0.000 0.281 184 G C 0.376 175.412 174.900 0.226 0.000 1.223 184 G CA -0.480 44.775 45.100 0.258 0.000 0.871 184 G HN 0.621 nan 8.290 nan 0.000 0.492 185 R N 0.179 120.772 120.500 0.154 0.000 2.082 185 R HA 0.098 4.438 4.340 -0.000 0.000 0.218 185 R C 0.771 177.127 176.300 0.095 0.000 1.171 185 R CA 0.852 57.017 56.100 0.108 0.000 0.914 185 R CB -1.123 29.218 30.300 0.070 0.000 0.806 185 R HN 0.532 nan 8.270 nan 0.000 0.453 186 Q N 2.171 122.006 119.800 0.059 0.000 2.325 186 Q HA 0.412 4.752 4.340 -0.000 0.000 0.262 186 Q C -2.376 173.613 176.000 -0.018 0.000 0.968 186 Q CA -2.218 53.587 55.803 0.004 0.000 0.877 186 Q CB 1.958 30.698 28.738 0.002 0.000 1.253 186 Q HN 0.087 nan 8.270 nan 0.000 0.448 187 P HA 0.211 nan 4.420 nan 0.000 0.275 187 P C -1.279 175.996 177.300 -0.041 0.000 1.270 187 P CA -0.249 62.762 63.100 -0.149 0.000 0.791 187 P CB 0.521 31.848 31.700 -0.621 0.000 1.089 188 R N 0.351 120.853 120.500 0.004 0.000 2.810 188 R HA 0.168 4.508 4.340 -0.000 0.000 0.280 188 R C -2.029 174.264 176.300 -0.012 0.000 1.517 188 R CA -1.043 55.043 56.100 -0.023 0.000 1.063 188 R CB 1.464 31.739 30.300 -0.042 0.000 1.275 188 R HN 0.395 nan 8.270 nan 0.000 0.464 189 P HA -0.160 nan 4.420 nan 0.000 0.219 189 P C 0.137 177.439 177.300 0.004 0.000 1.150 189 P CA 1.241 64.362 63.100 0.034 0.000 0.814 189 P CB 0.631 32.347 31.700 0.026 0.000 0.787 190 E N 1.352 121.544 120.200 -0.014 0.000 2.002 190 E HA -0.179 4.171 4.350 -0.000 0.000 0.205 190 E C 0.710 177.285 176.600 -0.042 0.000 1.020 190 E CA 1.202 57.586 56.400 -0.027 0.000 0.856 190 E CB -1.525 28.161 29.700 -0.023 0.000 0.788 190 E HN 0.275 nan 8.360 nan 0.000 0.477 191 E N -0.037 120.142 120.200 -0.035 0.000 2.030 191 E HA 0.224 4.574 4.350 -0.000 0.000 0.267 191 E C -0.145 176.461 176.600 0.011 0.000 1.172 191 E CA 0.738 57.125 56.400 -0.021 0.000 1.080 191 E CB -0.215 29.483 29.700 -0.005 0.000 1.080 191 E HN 0.420 nan 8.360 nan 0.000 0.446 192 A N 1.421 124.184 122.820 -0.095 0.000 2.263 192 A HA 0.338 4.658 4.320 -0.000 0.000 0.150 192 A C 1.825 179.086 177.584 -0.538 0.000 1.963 192 A CA 0.371 52.319 52.037 -0.148 0.000 1.452 192 A CB -0.821 18.217 19.000 0.064 0.000 1.568 192 A HN 0.442 nan 8.150 nan 0.000 0.323 193 A N 1.097 123.720 122.820 -0.329 0.000 1.899 193 A HA -0.410 3.910 4.320 -0.000 0.000 0.230 193 A C 1.635 178.976 177.584 -0.406 0.000 1.593 193 A CA 2.890 54.761 52.037 -0.277 0.000 0.728 193 A CB -1.215 17.661 19.000 -0.206 0.000 0.848 193 A HN 0.737 nan 8.150 nan 0.000 0.490 194 E N -0.930 118.878 120.200 -0.654 0.000 2.108 194 E HA -0.243 4.107 4.350 -0.000 0.000 0.203 194 E C 1.375 177.675 176.600 -0.501 0.000 1.022 194 E CA 2.036 58.065 56.400 -0.618 0.000 0.823 194 E CB -0.429 28.824 29.700 -0.745 0.000 0.744 194 E HN 0.912 nan 8.360 nan 0.000 0.456 195 F N -0.573 119.316 119.950 -0.103 0.000 2.641 195 F HA 0.355 4.883 4.527 0.000 0.000 0.302 195 F C -0.218 175.656 175.800 0.124 0.000 1.098 195 F CA -0.708 57.260 58.000 -0.053 0.000 1.318 195 F CB -0.501 38.215 39.000 -0.473 0.000 1.035 195 F HN -0.299 nan 8.300 nan 0.000 0.551 196 Q N 1.254 121.068 119.800 0.022 0.000 2.388 196 Q HA -0.216 4.124 4.340 -0.000 0.000 0.346 196 Q C 0.670 176.828 176.000 0.263 0.000 1.319 196 Q CA 0.743 56.611 55.803 0.108 0.000 1.023 196 Q CB -1.717 27.090 28.738 0.115 0.000 1.247 196 Q HN 0.570 nan 8.270 nan 0.000 0.411 197 A N 1.287 124.315 122.820 0.348 0.000 2.513 197 A HA -0.135 4.185 4.320 -0.000 0.000 0.293 197 A C 0.521 178.443 177.584 0.562 0.000 1.260 197 A CA 0.843 53.188 52.037 0.512 0.000 1.059 197 A CB -0.219 18.984 19.000 0.339 0.000 0.913 197 A HN 0.460 nan 8.150 nan 0.000 0.542 198 E N 2.716 123.172 120.200 0.426 0.000 1.985 198 E HA 0.089 4.439 4.350 -0.000 0.000 0.268 198 E C -0.776 175.955 176.600 0.219 0.000 1.219 198 E CA -0.466 56.104 56.400 0.285 0.000 0.942 198 E CB 0.011 29.824 29.700 0.189 0.000 1.045 198 E HN 0.484 nan 8.360 nan 0.000 0.413 199 F N 6.239 126.165 119.950 -0.040 0.000 2.506 199 F HA 0.011 4.538 4.527 0.000 0.000 0.353 199 F C -0.109 175.575 175.800 -0.194 0.000 1.194 199 F CA -0.266 57.499 58.000 -0.390 0.000 1.048 199 F CB -0.011 38.756 39.000 -0.388 0.000 1.160 199 F HN 0.165 nan 8.300 nan 0.000 0.598 200 V N 3.049 122.696 119.914 -0.446 0.000 2.850 200 V HA 0.710 4.830 4.120 -0.000 0.000 0.315 200 V C 0.112 175.917 176.094 -0.483 0.000 1.064 200 V CA -0.480 61.620 62.300 -0.334 0.000 0.979 200 V CB 1.189 32.914 31.823 -0.164 0.000 1.039 200 V HN 0.735 nan 8.190 nan 0.000 0.452 201 S N 1.633 117.143 115.700 -0.318 0.000 2.589 201 S HA 0.096 4.566 4.470 -0.000 0.000 0.265 201 S C 1.526 176.000 174.600 -0.210 0.000 1.342 201 S CA 0.356 58.393 58.200 -0.272 0.000 1.005 201 S CB 0.719 63.823 63.200 -0.160 0.000 0.909 201 S HN 1.671 nan 8.310 nan 0.000 0.555 202 T N -1.179 113.280 114.554 -0.160 0.000 2.699 202 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 202 T C -1.057 173.584 174.700 -0.099 0.000 1.036 202 T CA 1.439 63.481 62.100 -0.096 0.000 1.147 202 T CB -2.068 66.775 68.868 -0.042 0.000 0.862 202 T HN 0.524 nan 8.240 nan 0.000 0.446 203 P HA -0.067 nan 4.420 nan 0.000 0.210 203 P C 1.737 178.971 177.300 -0.109 0.000 1.185 203 P CA 1.365 64.406 63.100 -0.099 0.000 0.924 203 P CB -0.124 31.527 31.700 -0.082 0.000 0.786 204 E N -0.430 119.708 120.200 -0.103 0.000 2.019 204 E HA -0.245 4.105 4.350 -0.000 0.000 0.208 204 E C 2.031 178.572 176.600 -0.099 0.000 1.030 204 E CA 1.299 57.643 56.400 -0.095 0.000 0.856 204 E CB -1.129 28.517 29.700 -0.090 0.000 0.781 204 E HN 0.081 nan 8.360 nan 0.000 0.471 205 L N 0.857 122.020 121.223 -0.100 0.000 2.012 205 L HA -0.302 4.038 4.340 -0.000 0.000 0.236 205 L C 2.163 178.979 176.870 -0.091 0.000 1.099 205 L CA 2.285 57.079 54.840 -0.077 0.000 0.821 205 L CB -0.417 41.600 42.059 -0.069 0.000 0.918 205 L HN 0.193 nan 8.230 nan 0.000 0.445 206 A N -1.579 121.163 122.820 -0.129 0.000 2.263 206 A HA 0.263 4.583 4.320 -0.000 0.000 0.205 206 A C 1.630 179.057 177.584 -0.262 0.000 1.226 206 A CA 1.275 53.161 52.037 -0.251 0.000 0.810 206 A CB -0.724 18.030 19.000 -0.410 0.000 0.784 206 A HN 0.726 nan 8.150 nan 0.000 0.486 207 A N -2.242 120.474 122.820 -0.174 0.000 2.027 207 A HA 0.215 4.535 4.320 -0.000 0.000 0.196 207 A C 1.548 179.057 177.584 -0.126 0.000 1.573 207 A CA 0.124 52.069 52.037 -0.154 0.000 1.097 207 A CB 0.251 19.172 19.000 -0.131 0.000 1.196 207 A HN 0.268 nan 8.150 nan 0.000 0.462 208 Q N 0.749 120.484 119.800 -0.108 0.000 2.247 208 Q HA 0.296 4.636 4.340 -0.000 0.000 0.204 208 Q C -0.277 175.663 176.000 -0.099 0.000 0.872 208 Q CA 0.139 55.886 55.803 -0.094 0.000 0.951 208 Q CB 0.569 29.264 28.738 -0.072 0.000 1.099 208 Q HN 0.440 nan 8.270 nan 0.000 0.501 209 S N 1.649 117.286 115.700 -0.105 0.000 2.537 209 S HA 0.148 4.618 4.470 -0.000 0.000 0.275 209 S C 0.570 175.059 174.600 -0.184 0.000 1.272 209 S CA -0.459 57.680 58.200 -0.101 0.000 1.050 209 S CB 1.038 64.210 63.200 -0.047 0.000 0.961 209 S HN 0.133 nan 8.310 nan 0.000 0.496 210 D N 0.929 121.183 120.400 -0.243 0.000 2.333 210 D HA 0.164 4.804 4.640 -0.000 0.000 0.208 210 D C -0.448 175.265 176.300 -0.978 0.000 0.984 210 D CA 1.020 54.679 54.000 -0.567 0.000 0.873 210 D CB 0.227 40.729 40.800 -0.497 0.000 0.935 210 D HN 0.378 nan 8.370 nan 0.000 0.521 211 F N -0.125 119.785 119.950 -0.067 0.000 2.628 211 F HA 0.478 5.005 4.527 0.000 0.000 0.309 211 F C -0.441 175.343 175.800 -0.026 0.000 1.108 211 F CA -0.837 57.134 58.000 -0.047 0.000 0.971 211 F CB 2.061 41.019 39.000 -0.070 0.000 1.279 211 F HN -0.382 nan 8.300 nan 0.000 0.441 212 I N 2.260 122.941 120.570 0.185 0.000 2.722 212 I HA 0.650 4.820 4.170 -0.000 0.000 0.295 212 I C -1.533 174.593 176.117 0.015 0.000 1.161 212 I CA -1.002 60.373 61.300 0.126 0.000 1.032 212 I CB 2.592 40.714 38.000 0.203 0.000 1.244 212 I HN 0.288 nan 8.210 nan 0.000 0.421 213 V N 5.989 125.895 119.914 -0.013 0.000 2.531 213 V HA 0.302 4.422 4.120 -0.000 0.000 0.301 213 V C -0.109 175.928 176.094 -0.094 0.000 1.034 213 V CA -0.719 61.514 62.300 -0.112 0.000 0.865 213 V CB 1.733 33.512 31.823 -0.074 0.000 0.995 213 V HN 0.403 nan 8.190 nan 0.000 0.424 214 V N 3.760 123.561 119.914 -0.189 0.000 2.135 214 V HA 0.265 4.385 4.120 -0.000 0.000 0.287 214 V C 1.342 177.390 176.094 -0.078 0.000 1.607 214 V CA 0.488 62.727 62.300 -0.102 0.000 1.585 214 V CB 0.338 32.089 31.823 -0.120 0.000 1.470 214 V HN 1.016 nan 8.190 nan 0.000 0.513 215 A N 0.950 123.740 122.820 -0.050 0.000 2.359 215 A HA 0.220 4.540 4.320 -0.000 0.000 0.240 215 A C 1.132 178.710 177.584 -0.010 0.000 1.306 215 A CA 0.272 52.287 52.037 -0.037 0.000 0.898 215 A CB -0.637 18.341 19.000 -0.037 0.000 0.956 215 A HN 0.819 nan 8.150 nan 0.000 0.497 216 C N -1.991 117.308 119.300 -0.001 0.000 2.536 216 C HA 0.812 5.272 4.460 -0.000 0.000 0.385 216 C C 0.578 175.575 174.990 0.011 0.000 2.253 216 C CA -0.498 58.530 59.018 0.016 0.000 1.823 216 C CB 0.647 28.405 27.740 0.030 0.000 2.000 216 C HN 0.297 nan 8.230 nan 0.000 0.444 217 S N 0.229 115.939 115.700 0.017 0.000 2.565 217 S HA 0.507 4.977 4.470 -0.000 0.000 0.290 217 S C -0.396 174.208 174.600 0.006 0.000 1.150 217 S CA -0.353 57.856 58.200 0.014 0.000 1.058 217 S CB 1.329 64.539 63.200 0.018 0.000 1.032 217 S HN 0.784 nan 8.310 nan 0.000 0.510 218 L N 4.390 125.614 121.223 0.003 0.000 2.450 218 L HA 0.158 4.498 4.340 -0.000 0.000 0.256 218 L C 0.637 177.504 176.870 -0.004 0.000 1.374 218 L CA 0.291 55.127 54.840 -0.006 0.000 1.210 218 L CB -1.430 40.626 42.059 -0.006 0.000 1.394 218 L HN 0.781 nan 8.230 nan 0.000 0.438 219 T N 0.655 115.207 114.554 -0.003 0.000 2.847 219 T HA 0.427 4.777 4.350 -0.000 0.000 0.279 219 T C -1.500 173.197 174.700 -0.005 0.000 0.984 219 T CA -1.611 60.489 62.100 -0.000 0.000 0.988 219 T CB 0.838 69.710 68.868 0.008 0.000 1.040 219 T HN 0.173 nan 8.240 nan 0.000 0.528 220 P HA -0.101 nan 4.420 nan 0.000 0.217 220 P C 0.644 177.939 177.300 -0.009 0.000 1.162 220 P CA 1.666 64.763 63.100 -0.005 0.000 0.901 220 P CB -0.223 31.476 31.700 -0.001 0.000 0.793 221 A N -1.616 121.201 122.820 -0.004 0.000 3.260 221 A HA 0.393 4.713 4.320 -0.000 0.000 0.268 221 A C 0.515 178.089 177.584 -0.016 0.000 1.491 221 A CA 0.396 52.428 52.037 -0.008 0.000 1.181 221 A CB -0.741 18.262 19.000 0.005 0.000 1.137 221 A HN 0.151 nan 8.150 nan 0.000 0.642 222 T N -1.579 112.956 114.554 -0.031 0.000 3.266 222 T HA 0.030 4.380 4.350 -0.000 0.000 0.264 222 T C 0.427 175.089 174.700 -0.064 0.000 0.839 222 T CA -0.125 61.945 62.100 -0.049 0.000 0.828 222 T CB -0.223 68.631 68.868 -0.023 0.000 1.255 222 T HN 0.622 nan 8.240 nan 0.000 0.652 223 E N 1.914 122.086 120.200 -0.046 0.000 1.985 223 E HA 0.405 4.755 4.350 -0.000 0.000 0.268 223 E C 1.116 177.682 176.600 -0.058 0.000 1.219 223 E CA 0.762 57.136 56.400 -0.043 0.000 0.942 223 E CB -0.667 29.017 29.700 -0.028 0.000 1.045 223 E HN 0.540 nan 8.360 nan 0.000 0.413 224 G N 3.705 112.459 108.800 -0.077 0.000 2.163 224 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.213 224 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.213 224 G C 0.441 175.244 174.900 -0.162 0.000 0.991 224 G CA 0.122 45.168 45.100 -0.091 0.000 0.653 224 G HN 0.570 nan 8.290 nan 0.000 0.518 225 L N 1.759 122.854 121.223 -0.214 0.000 1.925 225 L HA 0.055 4.395 4.340 -0.000 0.000 0.232 225 L C 2.128 178.610 176.870 -0.646 0.000 1.089 225 L CA 2.389 57.014 54.840 -0.359 0.000 0.806 225 L CB -1.050 40.779 42.059 -0.383 0.000 0.899 225 L HN 0.620 nan 8.230 nan 0.000 0.435 226 C N 1.941 120.624 119.300 -1.029 0.000 2.292 226 C HA 0.122 4.582 4.460 -0.000 0.000 0.414 226 C C 0.591 175.066 174.990 -0.859 0.000 1.467 226 C CA 0.218 58.348 59.018 -1.480 0.000 1.409 226 C CB -3.062 24.162 27.740 -0.860 0.000 2.539 226 C HN 0.779 nan 8.230 nan 0.000 0.626 227 N N 1.367 119.610 118.700 -0.762 0.000 3.283 227 N HA 0.481 5.221 4.740 -0.000 0.000 0.338 227 N C 0.686 176.004 175.510 -0.320 0.000 1.517 227 N CA -0.879 51.943 53.050 -0.380 0.000 0.733 227 N CB 0.297 38.682 38.487 -0.170 0.000 1.797 227 N HN 0.123 nan 8.380 nan 0.000 0.637 228 K N -0.241 120.154 120.400 -0.009 0.000 1.987 228 K HA -0.120 4.200 4.320 -0.000 0.000 0.216 228 K C 0.568 177.183 176.600 0.025 0.000 1.051 228 K CA 2.130 58.473 56.287 0.094 0.000 0.942 228 K CB -1.006 31.538 32.500 0.072 0.000 0.722 228 K HN 0.579 nan 8.250 nan 0.000 0.444 229 D N -0.755 119.639 120.400 -0.010 0.000 2.384 229 D HA -0.115 4.525 4.640 -0.000 0.000 0.222 229 D C 1.420 177.690 176.300 -0.049 0.000 0.976 229 D CA 0.703 54.690 54.000 -0.023 0.000 0.915 229 D CB -0.071 40.719 40.800 -0.017 0.000 0.896 229 D HN 0.284 nan 8.370 nan 0.000 0.523 230 F N -0.072 119.704 119.950 -0.291 0.000 2.262 230 F HA -0.016 4.510 4.527 -0.001 0.000 0.292 230 F C 1.678 177.259 175.800 -0.366 0.000 1.081 230 F CA 0.654 58.416 58.000 -0.396 0.000 1.355 230 F CB -0.066 38.553 39.000 -0.634 0.000 1.069 230 F HN -0.236 nan 8.300 nan 0.000 0.506 231 F N 0.293 120.202 119.950 -0.067 0.000 2.293 231 F HA -0.047 4.479 4.527 -0.001 0.000 0.297 231 F C 2.519 178.209 175.800 -0.183 0.000 1.089 231 F CA 0.780 58.675 58.000 -0.175 0.000 1.377 231 F CB -1.251 37.679 39.000 -0.116 0.000 1.051 231 F HN -0.001 nan 8.300 nan 0.000 0.511 232 Q N 1.246 121.063 119.800 0.028 0.000 2.291 232 Q HA -0.118 4.222 4.340 -0.000 0.000 0.206 232 Q C 0.610 176.559 176.000 -0.084 0.000 0.976 232 Q CA 0.978 56.767 55.803 -0.022 0.000 0.875 232 Q CB -0.052 28.676 28.738 -0.016 0.000 0.927 232 Q HN 0.383 nan 8.270 nan 0.000 0.450 236 E N -0.436 119.663 120.200 -0.167 0.000 2.427 236 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 236 E C 0.709 177.165 176.600 -0.241 0.000 1.028 236 E CA 1.449 57.750 56.400 -0.164 0.000 0.864 236 E CB -0.022 29.608 29.700 -0.117 0.000 0.813 236 E HN 0.629 nan 8.360 nan 0.000 0.514 237 T N -2.072 112.270 114.554 -0.355 0.000 3.069 237 T HA 0.476 4.826 4.350 -0.000 0.000 0.252 237 T C 0.808 175.028 174.700 -0.800 0.000 1.053 237 T CA -0.071 61.617 62.100 -0.686 0.000 0.964 237 T CB 0.472 68.862 68.868 -0.798 0.000 1.005 237 T HN 0.270 nan 8.240 nan 0.000 0.532 238 A N 1.162 123.682 122.820 -0.501 0.000 2.313 238 A HA 0.675 4.995 4.320 -0.000 0.000 0.261 238 A C -0.141 177.258 177.584 -0.309 0.000 1.090 238 A CA -0.535 51.214 52.037 -0.479 0.000 0.807 238 A CB 0.605 19.416 19.000 -0.315 0.000 1.055 238 A HN 0.338 nan 8.150 nan 0.000 0.492 239 V N 0.806 120.576 119.914 -0.240 0.000 2.495 239 V HA 0.381 4.501 4.120 -0.000 0.000 0.298 239 V C -0.869 175.341 176.094 0.194 0.000 1.031 239 V CA -0.249 62.080 62.300 0.048 0.000 0.871 239 V CB 1.240 33.213 31.823 0.251 0.000 0.988 239 V HN 0.725 nan 8.190 nan 0.000 0.432 240 F N 6.460 126.437 119.950 0.046 0.000 2.385 240 F HA 0.656 5.183 4.527 0.001 0.000 0.360 240 F C -0.472 175.379 175.800 0.085 0.000 1.122 240 F CA -0.733 57.328 58.000 0.103 0.000 1.090 240 F CB 0.635 39.718 39.000 0.139 0.000 1.150 240 F HN 0.233 nan 8.300 nan 0.000 0.472 241 I N 5.603 125.921 120.570 -0.420 0.000 2.406 241 I HA 0.285 4.455 4.170 -0.000 0.000 0.290 241 I C -0.851 174.927 176.117 -0.566 0.000 0.999 241 I CA -0.738 60.343 61.300 -0.365 0.000 1.124 241 I CB 1.351 39.247 38.000 -0.174 0.000 1.289 241 I HN 0.563 nan 8.210 nan 0.000 0.441 242 N N 6.660 125.102 118.700 -0.430 0.000 2.346 242 N HA 0.534 5.274 4.740 -0.000 0.000 0.289 242 N C -0.141 175.265 175.510 -0.173 0.000 1.027 242 N CA -0.587 52.270 53.050 -0.320 0.000 0.864 242 N CB 1.613 39.952 38.487 -0.246 0.000 1.370 242 N HN 0.604 nan 8.380 nan 0.000 0.481 243 I N 0.367 120.851 120.570 -0.143 0.000 4.160 243 I HA 0.352 4.522 4.170 -0.000 0.000 0.325 243 I C 0.707 176.757 176.117 -0.112 0.000 1.455 243 I CA -0.360 60.867 61.300 -0.122 0.000 1.142 243 I CB 0.268 38.216 38.000 -0.086 0.000 1.262 243 I HN 0.351 nan 8.210 nan 0.000 0.483 244 S N 1.592 117.235 115.700 -0.095 0.000 2.321 244 S HA 0.357 4.827 4.470 -0.000 0.000 0.188 244 S C 0.972 175.520 174.600 -0.087 0.000 1.080 244 S CA 0.167 58.329 58.200 -0.064 0.000 1.198 244 S CB -0.074 63.102 63.200 -0.040 0.000 0.926 244 S HN 0.351 nan 8.310 nan 0.000 0.426 245 R N -0.613 119.845 120.500 -0.070 0.000 2.817 245 R HA 0.543 4.883 4.340 -0.000 0.000 0.268 245 R C 1.251 177.521 176.300 -0.051 0.000 1.027 245 R CA -0.114 55.945 56.100 -0.070 0.000 0.928 245 R CB 0.838 31.121 30.300 -0.028 0.000 1.228 245 R HN 0.514 nan 8.270 nan 0.000 0.469 246 G N 0.162 108.937 108.800 -0.041 0.000 2.394 246 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 246 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 246 G C 0.453 175.360 174.900 0.012 0.000 1.165 246 G CA 0.484 45.578 45.100 -0.009 0.000 0.784 246 G HN 0.504 nan 8.290 nan 0.000 0.535 247 D N 0.473 120.873 120.400 0.000 0.000 2.392 247 D HA -0.035 4.605 4.640 -0.000 0.000 0.228 247 D C 2.428 178.722 176.300 -0.010 0.000 1.003 247 D CA 0.143 54.142 54.000 -0.001 0.000 0.917 247 D CB 0.266 41.060 40.800 -0.010 0.000 0.890 247 D HN 0.220 nan 8.370 nan 0.000 0.532 248 V N 0.312 120.220 119.914 -0.010 0.000 2.667 248 V HA -0.085 4.035 4.120 -0.000 0.000 0.252 248 V C 1.124 177.197 176.094 -0.035 0.000 1.065 248 V CA 0.731 63.014 62.300 -0.028 0.000 1.083 248 V CB 0.164 31.977 31.823 -0.016 0.000 0.692 248 V HN -0.037 nan 8.190 nan 0.000 0.468 249 V N 0.765 120.694 119.914 0.025 0.000 2.630 249 V HA 0.356 4.476 4.120 -0.000 0.000 0.305 249 V C 0.001 176.129 176.094 0.057 0.000 1.046 249 V CA -0.807 61.530 62.300 0.061 0.000 0.934 249 V CB 1.779 33.719 31.823 0.193 0.000 1.003 249 V HN 0.369 nan 8.190 nan 0.000 0.451 250 N N 3.539 122.276 118.700 0.061 0.000 2.558 250 N HA 0.152 4.892 4.740 -0.000 0.000 0.233 250 N C 1.023 176.624 175.510 0.153 0.000 1.038 250 N CA -0.231 52.867 53.050 0.080 0.000 0.934 250 N CB 1.230 39.747 38.487 0.050 0.000 1.175 250 N HN 0.661 nan 8.380 nan 0.000 0.512 251 Q N 2.555 122.451 119.800 0.160 0.000 1.967 251 Q HA -0.213 4.127 4.340 -0.000 0.000 0.210 251 Q C 0.501 176.644 176.000 0.237 0.000 1.005 251 Q CA 1.968 57.912 55.803 0.236 0.000 0.862 251 Q CB -0.319 28.650 28.738 0.384 0.000 0.939 251 Q HN 0.607 nan 8.270 nan 0.000 0.417 252 D N 1.052 121.551 120.400 0.166 0.000 2.116 252 D HA -0.158 4.482 4.640 -0.000 0.000 0.193 252 D C 1.480 177.888 176.300 0.180 0.000 0.998 252 D CA 1.577 55.658 54.000 0.135 0.000 0.836 252 D CB -0.376 40.456 40.800 0.053 0.000 0.951 252 D HN 0.272 nan 8.370 nan 0.000 0.449 253 D N -0.816 119.684 120.400 0.166 0.000 2.264 253 D HA -0.070 4.570 4.640 -0.000 0.000 0.208 253 D C 1.668 178.116 176.300 0.246 0.000 0.966 253 D CA 0.203 54.322 54.000 0.199 0.000 0.864 253 D CB -0.033 40.878 40.800 0.185 0.000 0.933 253 D HN 0.107 nan 8.370 nan 0.000 0.499 254 L N -0.564 120.779 121.223 0.200 0.000 2.492 254 L HA 0.027 4.367 4.340 -0.000 0.000 0.223 254 L C 1.502 178.325 176.870 -0.079 0.000 1.132 254 L CA 0.968 55.768 54.840 -0.068 0.000 0.850 254 L CB -0.343 41.697 42.059 -0.032 0.000 0.966 254 L HN 0.019 nan 8.230 nan 0.000 0.454 255 Y N -0.040 120.239 120.300 -0.036 0.000 2.138 255 Y HA -0.194 4.356 4.550 -0.001 0.000 0.286 255 Y C 2.730 178.600 175.900 -0.051 0.000 1.115 255 Y CA 1.992 60.075 58.100 -0.029 0.000 1.105 255 Y CB -0.434 38.044 38.460 0.028 0.000 1.004 255 Y HN 0.301 nan 8.280 nan 0.000 0.494 256 Q N 0.977 120.800 119.800 0.039 0.000 2.082 256 Q HA -0.273 4.067 4.340 -0.000 0.000 0.211 256 Q C 2.272 178.181 176.000 -0.150 0.000 1.002 256 Q CA 2.684 58.456 55.803 -0.051 0.000 0.868 256 Q CB -1.016 27.754 28.738 0.054 0.000 0.931 256 Q HN 0.578 nan 8.270 nan 0.000 0.414 257 A N -0.030 122.706 122.820 -0.140 0.000 1.892 257 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 257 A C 2.153 179.568 177.584 -0.281 0.000 1.188 257 A CA 1.838 53.743 52.037 -0.220 0.000 0.631 257 A CB -0.885 17.842 19.000 -0.455 0.000 0.822 257 A HN 0.482 nan 8.150 nan 0.000 0.447 258 L N -1.313 119.707 121.223 -0.337 0.000 2.395 258 L HA -0.028 4.312 4.340 -0.000 0.000 0.218 258 L C 2.842 179.505 176.870 -0.344 0.000 1.130 258 L CA 0.458 55.110 54.840 -0.315 0.000 0.826 258 L CB -0.485 41.400 42.059 -0.290 0.000 0.941 258 L HN 0.480 nan 8.230 nan 0.000 0.451 259 A N 0.648 123.210 122.820 -0.430 0.000 1.823 259 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 259 A C 2.521 179.979 177.584 -0.210 0.000 1.225 259 A CA 1.606 53.402 52.037 -0.402 0.000 0.604 259 A CB -0.926 17.814 19.000 -0.433 0.000 0.878 259 A HN 0.400 nan 8.150 nan 0.000 0.450 260 S N -1.201 114.404 115.700 -0.157 0.000 2.383 260 S HA 0.261 4.731 4.470 -0.000 0.000 0.229 260 S C 1.348 175.889 174.600 -0.099 0.000 1.030 260 S CA 1.485 59.625 58.200 -0.100 0.000 1.002 260 S CB -0.768 62.389 63.200 -0.072 0.000 0.829 260 S HN 2.230 nan 8.310 nan 0.000 0.467 261 G N 0.872 109.598 108.800 -0.123 0.000 2.618 261 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.180 261 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.180 261 G C 0.235 175.070 174.900 -0.108 0.000 1.092 261 G CA -0.035 44.997 45.100 -0.114 0.000 0.856 261 G HN 0.278 nan 8.290 nan 0.000 0.496 262 K N -0.010 120.318 120.400 -0.120 0.000 2.444 262 K HA 0.308 4.628 4.320 -0.000 0.000 0.193 262 K C 1.263 177.790 176.600 -0.121 0.000 1.024 262 K CA 0.874 57.102 56.287 -0.098 0.000 1.077 262 K CB 0.086 32.550 32.500 -0.059 0.000 0.833 262 K HN 1.084 nan 8.250 nan 0.000 0.517 263 I N -5.546 114.931 120.570 -0.155 0.000 2.787 263 I HA 0.381 4.551 4.170 -0.000 0.000 0.294 263 I C 0.664 176.682 176.117 -0.165 0.000 1.365 263 I CA -0.778 60.421 61.300 -0.169 0.000 1.029 263 I CB 1.807 39.708 38.000 -0.166 0.000 1.313 263 I HN -0.256 nan 8.210 nan 0.000 0.431 264 A N 4.250 126.953 122.820 -0.195 0.000 1.892 264 A HA 0.397 4.717 4.320 -0.000 0.000 0.218 264 A C 1.195 178.743 177.584 -0.060 0.000 1.188 264 A CA 2.285 54.242 52.037 -0.134 0.000 0.631 264 A CB -0.511 18.358 19.000 -0.219 0.000 0.822 264 A HN 1.725 nan 8.150 nan 0.000 0.447 265 A N -3.805 118.982 122.820 -0.054 0.000 2.467 265 A HA 0.741 5.061 4.320 -0.000 0.000 0.301 265 A C -0.762 176.827 177.584 0.008 0.000 1.126 265 A CA 0.052 52.072 52.037 -0.027 0.000 0.632 265 A CB -0.189 18.817 19.000 0.009 0.000 1.331 265 A HN 1.966 nan 8.150 nan 0.000 0.482 266 A N -1.184 121.649 122.820 0.021 0.000 2.606 266 A HA 0.909 5.229 4.320 -0.000 0.000 0.293 266 A C -0.304 177.307 177.584 0.046 0.000 1.082 266 A CA -0.043 52.045 52.037 0.085 0.000 0.685 266 A CB 1.478 20.545 19.000 0.113 0.000 1.284 266 A HN 2.475 nan 8.150 nan 0.000 0.408 267 G N 0.219 109.043 108.800 0.041 0.000 2.719 267 G HA2 0.623 4.583 3.960 -0.000 0.000 0.298 267 G HA3 0.623 4.583 3.960 -0.000 0.000 0.298 267 G C -1.353 173.531 174.900 -0.026 0.000 1.433 267 G CA -0.455 44.642 45.100 -0.006 0.000 1.034 267 G HN 0.778 nan 8.290 nan 0.000 0.517 268 L N 1.214 122.419 121.223 -0.029 0.000 2.381 268 L HA 0.530 4.870 4.340 -0.000 0.000 0.268 268 L C 0.031 176.865 176.870 -0.059 0.000 0.997 268 L CA -0.840 53.973 54.840 -0.045 0.000 0.818 268 L CB 2.688 44.736 42.059 -0.019 0.000 1.310 268 L HN 0.600 nan 8.230 nan 0.000 0.416 269 D N 0.771 121.120 120.400 -0.085 0.000 2.441 269 D HA 0.151 4.791 4.640 -0.000 0.000 0.210 269 D C -0.400 175.807 176.300 -0.156 0.000 1.102 269 D CA 0.226 54.176 54.000 -0.083 0.000 0.840 269 D CB 0.941 41.701 40.800 -0.067 0.000 0.990 269 D HN 0.265 nan 8.370 nan 0.000 0.505 270 V N -1.077 118.731 119.914 -0.177 0.000 2.789 270 V HA 0.876 4.996 4.120 -0.000 0.000 0.311 270 V C -0.286 175.749 176.094 -0.099 0.000 1.073 270 V CA -0.301 61.862 62.300 -0.228 0.000 0.921 270 V CB 1.313 32.943 31.823 -0.321 0.000 1.009 270 V HN 0.117 nan 8.190 nan 0.000 0.426 271 T N 0.238 114.757 114.554 -0.059 0.000 2.812 271 T HA 0.743 5.093 4.350 -0.000 0.000 0.294 271 T C -0.478 174.235 174.700 0.021 0.000 1.159 271 T CA -0.678 61.418 62.100 -0.007 0.000 1.008 271 T CB 1.954 70.824 68.868 0.003 0.000 1.289 271 T HN 0.913 nan 8.240 nan 0.000 0.514 272 S N 2.858 118.595 115.700 0.061 0.000 2.707 272 S HA 0.649 5.119 4.470 -0.000 0.000 0.312 272 S C -2.355 172.293 174.600 0.081 0.000 1.116 272 S CA -0.830 57.404 58.200 0.057 0.000 1.078 272 S CB 1.400 64.628 63.200 0.047 0.000 0.997 272 S HN 0.775 nan 8.310 nan 0.000 0.477 273 P HA 0.514 nan 4.420 nan 0.000 0.332 273 P C -1.080 176.246 177.300 0.043 0.000 1.298 273 P CA -0.620 62.502 63.100 0.037 0.000 0.755 273 P CB 1.101 32.815 31.700 0.024 0.000 1.465 274 E N -0.096 120.126 120.200 0.036 0.000 2.246 274 E HA 0.357 4.707 4.350 -0.000 0.000 0.266 274 E C -1.694 174.929 176.600 0.039 0.000 0.880 274 E CA -1.612 54.814 56.400 0.043 0.000 0.762 274 E CB 1.254 30.987 29.700 0.056 0.000 1.180 274 E HN 0.443 nan 8.360 nan 0.000 0.416 275 P HA 0.126 nan 4.420 nan 0.000 0.296 275 P C -0.908 176.421 177.300 0.048 0.000 1.295 275 P CA -0.505 62.621 63.100 0.043 0.000 0.754 275 P CB 0.744 32.467 31.700 0.039 0.000 1.311 276 L N 0.531 121.785 121.223 0.052 0.000 2.353 276 L HA 0.409 4.749 4.340 -0.000 0.000 0.270 276 L C -2.468 174.445 176.870 0.071 0.000 1.003 276 L CA -2.129 52.757 54.840 0.075 0.000 0.862 276 L CB 0.518 42.627 42.059 0.084 0.000 1.221 276 L HN 0.164 nan 8.230 nan 0.000 0.430 277 P HA -0.080 nan 4.420 nan 0.000 0.260 277 P C 0.609 177.941 177.300 0.054 0.000 1.147 277 P CA 0.511 63.636 63.100 0.040 0.000 0.758 277 P CB 0.238 31.949 31.700 0.018 0.000 0.744 278 T N -0.732 113.846 114.554 0.040 0.000 3.699 278 T HA -0.088 4.262 4.350 -0.000 0.000 0.257 278 T C 0.746 175.471 174.700 0.041 0.000 1.155 278 T CA 0.740 62.865 62.100 0.041 0.000 0.987 278 T CB -1.320 67.566 68.868 0.029 0.000 1.028 278 T HN 0.532 nan 8.240 nan 0.000 0.583 279 N N -1.539 117.186 118.700 0.042 0.000 2.159 279 N HA 0.025 4.765 4.740 -0.000 0.000 0.217 279 N C 0.141 175.669 175.510 0.030 0.000 1.223 279 N CA -0.609 52.454 53.050 0.021 0.000 0.896 279 N CB -0.292 38.188 38.487 -0.011 0.000 1.064 279 N HN 0.370 nan 8.380 nan 0.000 0.518 280 H N 2.464 121.520 119.070 -0.023 0.000 3.191 280 H HA 0.114 4.670 4.556 0.001 0.000 0.261 280 H C -1.452 173.851 175.328 -0.041 0.000 1.013 280 H CA -1.358 54.670 56.048 -0.032 0.000 1.457 280 H CB 0.993 30.750 29.762 -0.008 0.000 1.535 280 H HN 0.062 nan 8.280 nan 0.000 0.518 281 P HA -0.269 nan 4.420 nan 0.000 0.225 281 P C 1.807 179.216 177.300 0.182 0.000 1.154 281 P CA 1.295 64.371 63.100 -0.042 0.000 0.885 281 P CB 0.164 31.556 31.700 -0.512 0.000 0.785 282 L N -2.156 119.240 121.223 0.287 0.000 2.265 282 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 282 L C 2.156 179.076 176.870 0.084 0.000 1.117 282 L CA 0.977 55.921 54.840 0.173 0.000 0.782 282 L CB -0.658 41.360 42.059 -0.069 0.000 0.914 282 L HN 0.062 nan 8.230 nan 0.000 0.441 283 L N -0.580 120.691 121.223 0.081 0.000 2.478 283 L HA -0.089 4.251 4.340 -0.000 0.000 0.223 283 L C 2.381 179.286 176.870 0.058 0.000 1.140 283 L CA 1.160 56.031 54.840 0.051 0.000 0.842 283 L CB -0.451 41.641 42.059 0.055 0.000 0.953 283 L HN 0.372 nan 8.230 nan 0.000 0.452 284 T N -3.327 111.280 114.554 0.087 0.000 3.060 284 T HA 0.195 4.545 4.350 -0.000 0.000 0.249 284 T C 0.646 175.395 174.700 0.081 0.000 1.079 284 T CA -0.194 61.954 62.100 0.080 0.000 1.013 284 T CB -0.076 68.846 68.868 0.090 0.000 0.975 284 T HN 0.032 nan 8.240 nan 0.000 0.518 285 L N 2.819 124.095 121.223 0.088 0.000 2.265 285 L HA 0.414 4.754 4.340 -0.000 0.000 0.288 285 L C 1.483 178.359 176.870 0.010 0.000 1.058 285 L CA -0.795 54.071 54.840 0.044 0.000 0.809 285 L CB 1.199 43.276 42.059 0.029 0.000 1.179 285 L HN 0.295 nan 8.230 nan 0.000 0.429 286 K N 1.705 122.103 120.400 -0.003 0.000 2.555 286 K HA -0.058 4.261 4.320 -0.000 0.000 0.193 286 K C 0.389 176.972 176.600 -0.029 0.000 1.032 286 K CA 0.605 56.883 56.287 -0.015 0.000 1.004 286 K CB -0.126 32.364 32.500 -0.016 0.000 0.804 286 K HN 0.673 nan 8.250 nan 0.000 0.496 287 N N 0.581 119.261 118.700 -0.033 0.000 2.433 287 N HA 0.035 4.775 4.740 -0.000 0.000 0.270 287 N C -1.256 174.233 175.510 -0.036 0.000 1.354 287 N CA -0.572 52.456 53.050 -0.037 0.000 0.889 287 N CB 0.193 38.654 38.487 -0.044 0.000 1.285 287 N HN 0.161 nan 8.380 nan 0.000 0.503 288 C N 1.316 120.599 119.300 -0.028 0.000 2.801 288 C HA 0.467 4.927 4.460 -0.000 0.000 0.296 288 C C -0.356 174.620 174.990 -0.024 0.000 1.054 288 C CA -0.357 58.645 59.018 -0.026 0.000 1.442 288 C CB -0.554 27.169 27.740 -0.029 0.000 1.860 288 C HN 0.192 nan 8.230 nan 0.000 0.459 289 V N 6.698 126.599 119.914 -0.022 0.000 2.614 289 V HA 0.429 4.549 4.120 -0.000 0.000 0.291 289 V C 0.277 176.354 176.094 -0.029 0.000 1.049 289 V CA 0.261 62.546 62.300 -0.025 0.000 1.038 289 V CB 1.301 33.109 31.823 -0.026 0.000 0.980 289 V HN 0.703 nan 8.190 nan 0.000 0.481 290 I N 5.653 126.205 120.570 -0.029 0.000 2.512 290 I HA 0.435 4.605 4.170 -0.000 0.000 0.287 290 I C -0.661 175.444 176.117 -0.021 0.000 1.069 290 I CA -0.360 60.921 61.300 -0.032 0.000 1.056 290 I CB 1.851 39.825 38.000 -0.044 0.000 1.229 290 I HN 0.362 nan 8.210 nan 0.000 0.429 291 L N 7.008 128.220 121.223 -0.019 0.000 2.334 291 L HA 0.529 4.869 4.340 -0.000 0.000 0.272 291 L C -1.981 174.896 176.870 0.012 0.000 1.020 291 L CA -1.628 53.208 54.840 -0.005 0.000 0.812 291 L CB 1.733 43.788 42.059 -0.007 0.000 1.264 291 L HN 0.365 nan 8.230 nan 0.000 0.439 292 P HA 0.013 nan 4.420 nan 0.000 0.214 292 P C -0.057 177.316 177.300 0.121 0.000 1.807 292 P CA -0.004 63.129 63.100 0.055 0.000 0.921 292 P CB -0.461 31.261 31.700 0.036 0.000 1.835 293 H N 1.402 120.459 119.070 -0.022 0.000 2.680 293 H HA -0.132 4.425 4.556 0.000 0.000 0.328 293 H C 0.285 175.595 175.328 -0.030 0.000 1.139 293 H CA -0.220 55.812 56.048 -0.026 0.000 1.124 293 H CB -0.864 28.884 29.762 -0.025 0.000 1.584 293 H HN 0.411 nan 8.280 nan 0.000 0.410 294 I N -1.475 119.163 120.570 0.114 0.000 3.856 294 I HA 0.344 4.514 4.170 -0.000 0.000 0.333 294 I C 1.746 177.876 176.117 0.021 0.000 1.525 294 I CA 0.108 61.424 61.300 0.026 0.000 1.173 294 I CB 0.295 38.294 38.000 -0.001 0.000 1.175 294 I HN 0.340 nan 8.210 nan 0.000 0.424 295 G N 2.405 111.253 108.800 0.080 0.000 2.553 295 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.218 295 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.218 295 G C 1.427 176.329 174.900 0.003 0.000 1.195 295 G CA 1.351 46.480 45.100 0.048 0.000 0.779 295 G HN 0.630 nan 8.290 nan 0.000 0.577 296 S N 0.088 115.779 115.700 -0.014 0.000 2.679 296 S HA 0.583 5.053 4.470 -0.000 0.000 0.233 296 S C 1.079 175.646 174.600 -0.056 0.000 0.951 296 S CA 0.402 58.582 58.200 -0.034 0.000 0.973 296 S CB 0.542 63.720 63.200 -0.037 0.000 0.778 296 S HN 0.631 nan 8.310 nan 0.000 0.477 297 A N 2.454 125.236 122.820 -0.063 0.000 3.048 297 A HA 0.487 4.807 4.320 -0.000 0.000 0.264 297 A C 0.767 178.268 177.584 -0.139 0.000 1.796 297 A CA -0.187 51.792 52.037 -0.096 0.000 1.445 297 A CB -1.167 17.783 19.000 -0.084 0.000 1.074 297 A HN 0.611 nan 8.150 nan 0.000 0.621 298 T N -3.318 111.150 114.554 -0.143 0.000 2.906 298 T HA 0.476 4.826 4.350 -0.000 0.000 0.295 298 T C 0.794 175.381 174.700 -0.188 0.000 1.061 298 T CA -0.634 61.355 62.100 -0.186 0.000 1.000 298 T CB 0.854 69.676 68.868 -0.077 0.000 1.103 298 T HN 0.412 nan 8.240 nan 0.000 0.486 299 H N 1.109 120.173 119.070 -0.010 0.000 2.290 299 H HA -0.093 4.463 4.556 0.000 0.000 0.298 299 H C 2.337 177.658 175.328 -0.012 0.000 1.087 299 H CA 2.260 58.302 56.048 -0.011 0.000 1.291 299 H CB -0.124 29.632 29.762 -0.009 0.000 1.369 299 H HN 0.574 nan 8.280 nan 0.000 0.492 300 R N 0.897 121.462 120.500 0.107 0.000 2.083 300 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 300 R C 2.359 178.672 176.300 0.021 0.000 1.137 300 R CA 2.116 58.247 56.100 0.052 0.000 0.951 300 R CB -0.845 29.478 30.300 0.038 0.000 0.851 300 R HN 0.242 nan 8.270 nan 0.000 0.434 301 T N 1.306 115.861 114.554 0.003 0.000 2.545 301 T HA -0.131 4.218 4.350 -0.000 0.000 0.261 301 T C 1.778 176.469 174.700 -0.014 0.000 1.097 301 T CA 1.515 63.608 62.100 -0.012 0.000 1.189 301 T CB -0.270 68.584 68.868 -0.024 0.000 0.863 301 T HN 0.190 nan 8.240 nan 0.000 0.405 302 R N 1.533 122.020 120.500 -0.023 0.000 2.153 302 R HA -0.102 4.238 4.340 -0.000 0.000 0.252 302 R C 2.220 178.516 176.300 -0.006 0.000 1.158 302 R CA 1.252 57.339 56.100 -0.022 0.000 0.975 302 R CB -1.195 29.087 30.300 -0.031 0.000 0.871 302 R HN 0.456 nan 8.270 nan 0.000 0.450 303 N N 0.089 118.794 118.700 0.009 0.000 2.084 303 N HA -0.084 4.656 4.740 -0.000 0.000 0.190 303 N C 0.651 176.161 175.510 0.000 0.000 1.030 303 N CA 1.047 54.103 53.050 0.011 0.000 0.849 303 N CB -0.471 38.030 38.487 0.023 0.000 1.012 303 N HN 0.210 nan 8.380 nan 0.000 0.423 307 L N 2.853 124.070 121.223 -0.009 0.000 2.017 307 L HA 0.266 4.606 4.340 -0.000 0.000 0.208 307 L C 2.049 178.911 176.870 -0.013 0.000 1.073 307 L CA 2.201 57.035 54.840 -0.010 0.000 0.745 307 L CB -0.744 41.308 42.059 -0.011 0.000 0.894 307 L HN 0.562 nan 8.230 nan 0.000 0.432 308 L N -0.150 121.061 121.223 -0.019 0.000 2.083 308 L HA -0.037 4.303 4.340 -0.000 0.000 0.209 308 L C 2.462 179.322 176.870 -0.016 0.000 1.083 308 L CA 1.963 56.786 54.840 -0.028 0.000 0.752 308 L CB -1.137 40.893 42.059 -0.048 0.000 0.899 308 L HN 0.289 nan 8.230 nan 0.000 0.433 309 A N -0.555 122.262 122.820 -0.005 0.000 1.902 309 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 309 A C 2.440 180.031 177.584 0.012 0.000 1.181 309 A CA 1.758 53.802 52.037 0.012 0.000 0.623 309 A CB -1.050 17.959 19.000 0.016 0.000 0.818 309 A HN 0.551 nan 8.150 nan 0.000 0.443 310 A N 0.144 122.967 122.820 0.004 0.000 1.872 310 A HA -0.153 4.167 4.320 -0.000 0.000 0.214 310 A C 1.958 179.544 177.584 0.003 0.000 1.187 310 A CA 1.545 53.584 52.037 0.004 0.000 0.614 310 A CB -0.631 18.368 19.000 -0.002 0.000 0.826 310 A HN 0.525 nan 8.150 nan 0.000 0.442 311 N N 0.922 119.620 118.700 -0.002 0.000 2.061 311 N HA -0.179 4.561 4.740 -0.000 0.000 0.193 311 N C 1.472 176.983 175.510 0.002 0.000 1.030 311 N CA 1.673 54.721 53.050 -0.004 0.000 0.856 311 N CB -0.585 37.895 38.487 -0.013 0.000 1.023 311 N HN 0.473 nan 8.380 nan 0.000 0.424 312 N N 1.113 119.816 118.700 0.005 0.000 2.058 312 N HA -0.114 4.626 4.740 -0.000 0.000 0.191 312 N C 1.880 177.408 175.510 0.029 0.000 1.037 312 N CA 0.426 53.488 53.050 0.019 0.000 0.848 312 N CB -0.744 37.761 38.487 0.031 0.000 1.021 312 N HN 0.127 nan 8.380 nan 0.000 0.422 313 L N 1.585 122.826 121.223 0.029 0.000 1.978 313 L HA -0.146 4.194 4.340 -0.000 0.000 0.218 313 L C 2.150 179.036 176.870 0.027 0.000 1.075 313 L CA 1.543 56.404 54.840 0.034 0.000 0.767 313 L CB -0.843 41.234 42.059 0.031 0.000 0.890 313 L HN 0.179 nan 8.230 nan 0.000 0.434 314 L N -1.354 119.879 121.223 0.017 0.000 2.141 314 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 314 L C 2.568 179.445 176.870 0.012 0.000 1.094 314 L CA 0.932 55.779 54.840 0.011 0.000 0.763 314 L CB -0.823 41.238 42.059 0.004 0.000 0.908 314 L HN 0.406 nan 8.230 nan 0.000 0.437 315 A N 0.356 123.185 122.820 0.014 0.000 1.877 315 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 315 A C 2.302 179.900 177.584 0.022 0.000 1.186 315 A CA 1.758 53.804 52.037 0.015 0.000 0.620 315 A CB -1.063 17.945 19.000 0.015 0.000 0.822 315 A HN 0.422 nan 8.150 nan 0.000 0.443 316 G N -1.768 107.050 108.800 0.030 0.000 2.813 316 G HA2 0.250 4.210 3.960 -0.000 0.000 0.209 316 G HA3 0.250 4.210 3.960 -0.000 0.000 0.209 316 G C 0.704 175.625 174.900 0.035 0.000 1.150 316 G CA 0.670 45.791 45.100 0.035 0.000 0.785 316 G HN 0.433 nan 8.290 nan 0.000 0.535 317 L N -0.114 121.126 121.223 0.029 0.000 3.141 317 L HA 0.583 4.923 4.340 -0.000 0.000 0.263 317 L C 1.155 178.030 176.870 0.009 0.000 1.312 317 L CA -0.165 54.690 54.840 0.025 0.000 1.012 317 L CB 0.177 42.251 42.059 0.026 0.000 1.408 317 L HN -0.088 nan 8.230 nan 0.000 0.559 318 R N -0.770 119.736 120.500 0.011 0.000 2.658 318 R HA 0.338 4.678 4.340 -0.000 0.000 0.223 318 R C 0.860 177.165 176.300 0.008 0.000 0.985 318 R CA 0.647 56.750 56.100 0.004 0.000 1.290 318 R CB 0.572 30.873 30.300 0.002 0.000 1.723 318 R HN 0.204 nan 8.270 nan 0.000 0.527 319 G N 2.298 111.106 108.800 0.013 0.000 2.165 319 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 319 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 319 G C -0.283 174.624 174.900 0.011 0.000 1.035 319 G CA 0.410 45.518 45.100 0.013 0.000 0.744 319 G HN 0.293 nan 8.290 nan 0.000 0.501 320 E N -0.155 120.052 120.200 0.011 0.000 2.410 320 E HA 0.579 4.929 4.350 -0.000 0.000 0.269 320 E C -1.910 174.697 176.600 0.011 0.000 0.937 320 E CA -1.855 54.551 56.400 0.009 0.000 0.793 320 E CB 1.644 31.348 29.700 0.006 0.000 1.314 320 E HN 0.151 nan 8.360 nan 0.000 0.447 324 S N 0.635 116.286 115.700 -0.082 0.000 2.488 324 S HA 0.267 4.737 4.470 -0.000 0.000 0.151 324 S C -1.119 173.507 174.600 0.042 0.000 1.401 324 S CA -0.449 57.639 58.200 -0.186 0.000 1.221 324 S CB 0.029 62.952 63.200 -0.461 0.000 1.407 324 S HN 0.189 nan 8.310 nan 0.000 0.406 325 E N 3.850 124.153 120.200 0.172 0.000 2.167 325 E HA 0.364 4.714 4.350 -0.000 0.000 0.284 325 E C 0.192 176.991 176.600 0.332 0.000 1.016 325 E CA -0.655 55.881 56.400 0.228 0.000 0.817 325 E CB 0.640 30.411 29.700 0.118 0.000 1.080 325 E HN 0.559 nan 8.360 nan 0.000 0.397 326 L N 0.000 121.376 121.223 0.256 0.000 2.949 326 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 326 L CA 0.000 54.767 54.840 -0.122 0.000 0.813 326 L CB 0.000 41.928 42.059 -0.219 0.000 0.961 326 L HN 0.000 nan 8.230 nan 0.000 0.502