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 3fcu_1_B DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKXXXXXXQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc R VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.892 174.900 -0.013 0.000 0.946 1 G CA 0.000 45.091 45.100 -0.015 0.000 0.502 2 P HA 0.403 nan 4.420 nan 0.000 0.271 2 P C -1.073 176.226 177.300 -0.002 0.000 1.218 2 P CA 0.338 63.434 63.100 -0.006 0.000 0.780 2 P CB 1.409 33.107 31.700 -0.004 0.000 0.901 3 N N 0.214 118.915 118.700 0.002 0.000 3.039 3 N HA 0.160 4.900 4.740 -0.000 0.000 0.257 3 N C 1.009 176.527 175.510 0.014 0.000 1.497 3 N CA -1.001 52.054 53.050 0.007 0.000 0.861 3 N CB 0.151 38.642 38.487 0.007 0.000 1.479 3 N HN 0.323 nan 8.380 nan 0.000 0.547 4 I N -2.572 118.009 120.570 0.019 0.000 2.530 4 I HA -0.156 4.014 4.170 -0.000 0.000 0.257 4 I C 0.753 176.890 176.117 0.033 0.000 1.179 4 I CA 0.958 62.273 61.300 0.024 0.000 1.440 4 I CB -0.642 37.373 38.000 0.024 0.000 1.087 4 I HN 0.441 nan 8.210 nan 0.000 0.440 5 c N 1.943 120.566 118.600 0.038 0.000 2.446 5 c HA -0.114 4.456 4.570 -0.000 0.000 0.277 5 c C 3.168 177.289 174.090 0.051 0.000 1.275 5 c CA 1.697 58.059 56.329 0.054 0.000 1.727 5 c CB -1.409 41.135 42.510 0.057 0.000 2.010 5 c HN 0.734 nan 8.230 nan 0.000 0.486 6 T N -0.710 113.862 114.554 0.030 0.000 2.978 6 T HA -0.105 4.245 4.350 -0.000 0.000 0.262 6 T C 1.588 176.301 174.700 0.023 0.000 1.063 6 T CA 1.901 64.013 62.100 0.021 0.000 1.140 6 T CB -0.864 68.006 68.868 0.002 0.000 0.886 6 T HN 0.638 nan 8.240 nan 0.000 0.470 7 T N -0.156 114.411 114.554 0.021 0.000 3.023 7 T HA 0.121 4.471 4.350 -0.000 0.000 0.266 7 T C 2.105 176.819 174.700 0.023 0.000 1.093 7 T CA -0.030 62.081 62.100 0.018 0.000 1.129 7 T CB -0.278 68.599 68.868 0.014 0.000 0.899 7 T HN 0.138 nan 8.240 nan 0.000 0.491 8 R N 1.603 122.121 120.500 0.031 0.000 2.115 8 R HA 0.100 4.440 4.340 -0.000 0.000 0.230 8 R C 1.818 178.140 176.300 0.037 0.000 1.111 8 R CA 0.919 57.038 56.100 0.032 0.000 0.976 8 R CB -1.221 29.102 30.300 0.038 0.000 0.870 8 R HN 0.669 nan 8.270 nan 0.000 0.445 9 G N 1.769 110.597 108.800 0.047 0.000 2.353 9 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.294 9 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.294 9 G C 0.242 175.182 174.900 0.067 0.000 1.077 9 G CA 0.379 45.510 45.100 0.052 0.000 1.098 9 G HN 0.295 nan 8.290 nan 0.000 0.511 10 V N -1.662 118.311 119.914 0.099 0.000 2.881 10 V HA 0.743 4.863 4.120 -0.000 0.000 0.303 10 V C 1.200 177.372 176.094 0.130 0.000 1.070 10 V CA 0.706 63.067 62.300 0.101 0.000 1.074 10 V CB 1.532 33.427 31.823 0.120 0.000 1.012 10 V HN 0.441 nan 8.190 nan 0.000 0.482 11 S N 1.747 117.484 115.700 0.061 0.000 2.470 11 S HA 0.149 4.619 4.470 -0.000 0.000 0.222 11 S C 0.846 175.451 174.600 0.008 0.000 1.024 11 S CA 0.498 58.733 58.200 0.058 0.000 0.931 11 S CB -0.040 63.169 63.200 0.014 0.000 0.791 11 S HN 1.195 nan 8.310 nan 0.000 0.513 12 S N -0.816 114.781 115.700 -0.171 0.000 2.667 12 S HA 0.389 4.859 4.470 -0.000 0.000 0.292 12 S C 0.757 174.756 174.600 -1.000 0.000 1.126 12 S CA -0.590 57.328 58.200 -0.470 0.000 0.881 12 S CB 0.937 63.953 63.200 -0.308 0.000 1.132 12 S HN 0.187 nan 8.310 nan 0.000 0.492 13 c N 0.455 118.209 118.600 -1.411 0.000 2.425 13 c HA -0.080 4.490 4.570 -0.000 0.000 0.277 13 c C 2.684 176.421 174.090 -0.588 0.000 1.280 13 c CA 1.838 57.299 56.329 -1.447 0.000 1.744 13 c CB -1.593 40.209 42.510 -1.181 0.000 1.989 13 c HN 1.035 nan 8.230 nan 0.000 0.491 14 Q N -0.264 119.289 119.800 -0.411 0.000 2.050 14 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 14 Q C 2.340 178.243 176.000 -0.161 0.000 0.980 14 Q CA 1.893 57.563 55.803 -0.222 0.000 0.840 14 Q CB -0.231 28.403 28.738 -0.173 0.000 0.898 14 Q HN 0.737 nan 8.270 nan 0.000 0.424 15 Q N -0.627 119.072 119.800 -0.168 0.000 2.170 15 Q HA -0.179 4.161 4.340 -0.000 0.000 0.203 15 Q C 2.389 178.363 176.000 -0.045 0.000 0.976 15 Q CA 1.178 56.927 55.803 -0.090 0.000 0.858 15 Q CB -0.243 28.451 28.738 -0.074 0.000 0.907 15 Q HN 0.506 nan 8.270 nan 0.000 0.433 16 c N 0.454 119.018 118.600 -0.059 0.000 2.429 16 c HA -0.087 4.483 4.570 -0.000 0.000 0.277 16 c C 2.389 176.522 174.090 0.071 0.000 1.262 16 c CA 0.570 56.944 56.329 0.074 0.000 1.733 16 c CB -0.894 41.754 42.510 0.230 0.000 2.010 16 c HN 0.473 nan 8.230 nan 0.000 0.483 17 L N 1.030 122.265 121.223 0.020 0.000 2.217 17 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 17 L C 2.903 179.783 176.870 0.017 0.000 1.107 17 L CA 1.283 56.142 54.840 0.032 0.000 0.783 17 L CB -0.664 41.395 42.059 -0.001 0.000 0.919 17 L HN 0.408 nan 8.230 nan 0.000 0.442 18 A N -0.419 122.399 122.820 -0.004 0.000 2.066 18 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 18 A C 2.298 179.886 177.584 0.007 0.000 1.157 18 A CA 0.909 52.941 52.037 -0.008 0.000 0.670 18 A CB -0.432 18.553 19.000 -0.025 0.000 0.804 18 A HN 0.181 nan 8.150 nan 0.000 0.453 19 V N -0.892 119.036 119.914 0.024 0.000 2.307 19 V HA -0.007 4.113 4.120 -0.000 0.000 0.245 19 V C 1.233 177.348 176.094 0.036 0.000 1.045 19 V CA 1.851 64.170 62.300 0.032 0.000 1.024 19 V CB -0.283 31.569 31.823 0.048 0.000 0.651 19 V HN 0.611 nan 8.190 nan 0.000 0.449 20 S N -2.667 113.063 115.700 0.051 0.000 2.565 20 S HA 0.369 4.839 4.470 -0.000 0.000 0.274 20 S C -2.605 172.040 174.600 0.075 0.000 1.144 20 S CA -0.648 57.585 58.200 0.055 0.000 0.849 20 S CB 1.745 64.980 63.200 0.057 0.000 1.103 20 S HN 0.001 nan 8.310 nan 0.000 0.455 21 P HA -0.085 nan 4.420 nan 0.000 0.219 21 P C 1.485 178.875 177.300 0.151 0.000 1.146 21 P CA 1.330 64.468 63.100 0.065 0.000 0.808 21 P CB -0.161 31.564 31.700 0.041 0.000 0.779 22 M N -3.306 116.397 119.600 0.173 0.000 2.558 22 M HA 0.084 4.564 4.480 -0.000 0.000 0.255 22 M C 0.108 176.576 176.300 0.280 0.000 1.113 22 M CA 0.781 56.227 55.300 0.243 0.000 1.097 22 M CB -0.829 31.849 32.600 0.131 0.000 1.426 22 M HN -0.252 nan 8.290 nan 0.000 0.488 23 c N 2.941 121.687 118.600 0.243 0.000 2.605 23 c HA 0.787 5.357 4.570 -0.000 0.000 0.404 23 c C 0.915 175.204 174.090 0.333 0.000 1.284 23 c CA -0.644 55.809 56.329 0.207 0.000 2.199 23 c CB 0.250 42.857 42.510 0.162 0.000 2.647 23 c HN 0.612 nan 8.230 nan 0.000 0.604 24 A N 2.906 125.854 122.820 0.213 0.000 2.479 24 A HA 0.875 5.195 4.320 -0.000 0.000 0.296 24 A C -1.285 176.454 177.584 0.259 0.000 1.121 24 A CA -0.469 51.734 52.037 0.277 0.000 0.743 24 A CB 1.282 20.282 19.000 -0.001 0.000 1.323 24 A HN 0.971 nan 8.150 nan 0.000 0.415 25 W N 0.513 121.853 121.300 0.067 0.000 2.781 25 W HA 0.546 5.206 4.660 0.000 0.000 0.345 25 W C -1.493 175.034 176.519 0.014 0.000 1.085 25 W CA -0.685 56.677 57.345 0.028 0.000 1.198 25 W CB 1.921 31.398 29.460 0.027 0.000 1.423 25 W HN 0.834 nan 8.180 nan 0.000 0.532 26 c N 4.071 122.265 118.600 -0.676 0.000 2.293 26 c HA 0.425 4.995 4.570 -0.000 0.000 0.323 26 c C 0.957 174.771 174.090 -0.460 0.000 1.240 26 c CA -0.178 55.895 56.329 -0.427 0.000 1.497 26 c CB 0.338 42.630 42.510 -0.364 0.000 2.171 26 c HN 0.640 nan 8.230 nan 0.000 0.465 27 S N 2.413 118.077 115.700 -0.060 0.000 2.528 27 S HA 0.002 4.472 4.470 -0.000 0.000 0.219 27 S C 0.347 174.965 174.600 0.029 0.000 0.985 27 S CA 0.139 58.392 58.200 0.088 0.000 0.914 27 S CB -0.341 62.971 63.200 0.187 0.000 0.776 27 S HN 0.944 nan 8.310 nan 0.000 0.526 28 D N 2.354 122.742 120.400 -0.019 0.000 2.487 28 D HA -0.009 4.631 4.640 -0.000 0.000 0.243 28 D C 0.865 177.169 176.300 0.006 0.000 1.154 28 D CA 0.432 54.431 54.000 -0.002 0.000 0.876 28 D CB 0.559 41.344 40.800 -0.025 0.000 1.161 28 D HN 0.247 nan 8.370 nan 0.000 0.478 29 E N 2.440 122.666 120.200 0.044 0.000 2.285 29 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 29 E C 1.523 178.139 176.600 0.027 0.000 0.997 29 E CA 0.651 57.088 56.400 0.061 0.000 0.845 29 E CB 0.090 29.846 29.700 0.093 0.000 0.782 29 E HN 0.565 nan 8.360 nan 0.000 0.491 30 A N 0.988 123.815 122.820 0.012 0.000 2.206 30 A HA 0.005 4.325 4.320 -0.000 0.000 0.211 30 A C 0.996 178.572 177.584 -0.014 0.000 1.158 30 A CA -0.047 51.990 52.037 0.000 0.000 0.761 30 A CB -0.184 18.816 19.000 -0.001 0.000 0.801 30 A HN 0.146 nan 8.150 nan 0.000 0.473 31 L N 1.997 123.203 121.223 -0.028 0.000 2.455 31 L HA 0.249 4.589 4.340 -0.000 0.000 0.272 31 L C -1.670 175.177 176.870 -0.039 0.000 1.174 31 L CA -1.410 53.401 54.840 -0.048 0.000 0.869 31 L CB 0.183 42.190 42.059 -0.086 0.000 1.130 31 L HN 0.144 nan 8.230 nan 0.000 0.474 32 P HA 0.064 nan 4.420 nan 0.000 0.275 32 P C 0.804 178.084 177.300 -0.032 0.000 1.270 32 P CA -0.277 62.805 63.100 -0.029 0.000 0.791 32 P CB 0.702 32.386 31.700 -0.028 0.000 1.089 33 L N -0.441 120.769 121.223 -0.021 0.000 2.072 33 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 33 L C 2.754 179.609 176.870 -0.025 0.000 1.079 33 L CA 1.880 56.709 54.840 -0.018 0.000 0.752 33 L CB -1.438 40.617 42.059 -0.007 0.000 0.906 33 L HN 0.514 nan 8.230 nan 0.000 0.436 34 G N -0.561 108.224 108.800 -0.025 0.000 2.422 34 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 34 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 34 G C 0.860 175.737 174.900 -0.038 0.000 1.146 34 G CA 0.105 45.190 45.100 -0.026 0.000 0.769 34 G HN 0.283 nan 8.290 nan 0.000 0.547 35 S N 1.859 117.529 115.700 -0.050 0.000 2.560 35 S HA 0.327 4.797 4.470 -0.000 0.000 0.284 35 S C -1.978 172.567 174.600 -0.091 0.000 1.327 35 S CA -0.666 57.493 58.200 -0.068 0.000 1.055 35 S CB 1.280 64.433 63.200 -0.078 0.000 0.868 35 S HN 0.224 nan 8.310 nan 0.000 0.506 36 P HA 0.347 nan 4.420 nan 0.000 0.284 36 P C -0.035 177.139 177.300 -0.210 0.000 1.253 36 P CA -0.514 62.515 63.100 -0.118 0.000 0.800 36 P CB 0.987 32.642 31.700 -0.076 0.000 0.961 37 R N 0.905 121.205 120.500 -0.334 0.000 2.140 37 R HA 0.100 4.440 4.340 -0.000 0.000 0.213 37 R C 0.593 176.538 176.300 -0.591 0.000 1.059 37 R CA 0.529 56.224 56.100 -0.675 0.000 1.000 37 R CB -0.141 29.417 30.300 -1.237 0.000 0.910 37 R HN 0.471 nan 8.270 nan 0.000 0.455 38 c N 1.985 120.441 118.600 -0.239 0.000 2.246 38 c HA 0.382 4.952 4.570 -0.000 0.000 0.329 38 c C -0.700 173.402 174.090 0.021 0.000 1.221 38 c CA -0.371 56.002 56.329 0.074 0.000 1.697 38 c CB -0.480 42.212 42.510 0.304 0.000 2.312 38 c HN 0.345 nan 8.230 nan 0.000 0.509 39 D N 2.690 123.096 120.400 0.010 0.000 2.779 39 D HA 0.347 4.987 4.640 -0.000 0.000 0.331 39 D C -0.932 175.348 176.300 -0.033 0.000 1.331 39 D CA -0.418 53.571 54.000 -0.019 0.000 0.866 39 D CB 1.074 41.838 40.800 -0.061 0.000 1.409 39 D HN 0.481 nan 8.370 nan 0.000 0.486 40 L N 1.576 122.764 121.223 -0.058 0.000 2.473 40 L HA 0.209 4.549 4.340 -0.000 0.000 0.268 40 L C 2.047 178.803 176.870 -0.189 0.000 1.215 40 L CA 0.005 54.776 54.840 -0.115 0.000 0.823 40 L CB 0.470 42.477 42.059 -0.087 0.000 1.099 40 L HN 0.481 nan 8.230 nan 0.000 0.483 41 K N 0.889 121.089 120.400 -0.334 0.000 2.097 41 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 41 K C 1.635 178.116 176.600 -0.198 0.000 1.050 41 K CA 1.591 57.667 56.287 -0.351 0.000 0.938 41 K CB 0.202 32.355 32.500 -0.578 0.000 0.718 41 K HN 0.579 nan 8.250 nan 0.000 0.442 42 E N 0.609 120.714 120.200 -0.159 0.000 2.077 42 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 42 E C 1.709 178.258 176.600 -0.084 0.000 0.989 42 E CA 1.462 57.801 56.400 -0.101 0.000 0.800 42 E CB -0.094 29.560 29.700 -0.077 0.000 0.746 42 E HN 0.315 nan 8.360 nan 0.000 0.452 43 N N 0.087 118.735 118.700 -0.086 0.000 2.270 43 N HA -0.065 4.675 4.740 -0.000 0.000 0.181 43 N C 1.715 177.177 175.510 -0.080 0.000 1.016 43 N CA 0.691 53.698 53.050 -0.072 0.000 0.870 43 N CB -0.079 38.369 38.487 -0.064 0.000 0.979 43 N HN 0.169 nan 8.380 nan 0.000 0.431 44 L N 0.370 121.534 121.223 -0.099 0.000 2.044 44 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 44 L C 2.095 178.914 176.870 -0.085 0.000 1.075 44 L CA 0.759 55.537 54.840 -0.103 0.000 0.747 44 L CB -0.424 41.563 42.059 -0.120 0.000 0.903 44 L HN 0.091 nan 8.230 nan 0.000 0.435 45 L N -0.120 121.055 121.223 -0.080 0.000 2.131 45 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 45 L C 2.621 179.460 176.870 -0.051 0.000 1.092 45 L CA 1.217 56.021 54.840 -0.060 0.000 0.759 45 L CB -0.449 41.575 42.059 -0.058 0.000 0.903 45 L HN 0.252 nan 8.230 nan 0.000 0.435 46 K N -0.035 120.333 120.400 -0.054 0.000 2.148 46 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 46 K C 0.355 176.929 176.600 -0.043 0.000 1.050 46 K CA 1.185 57.446 56.287 -0.044 0.000 0.942 46 K CB 0.161 32.635 32.500 -0.044 0.000 0.724 46 K HN 0.191 nan 8.250 nan 0.000 0.446 47 D N 1.308 121.677 120.400 -0.052 0.000 2.706 47 D HA 0.063 4.703 4.640 -0.000 0.000 0.236 47 D C -0.703 175.567 176.300 -0.050 0.000 1.231 47 D CA 0.041 54.010 54.000 -0.051 0.000 0.828 47 D CB -0.063 40.699 40.800 -0.062 0.000 1.015 47 D HN 0.140 nan 8.370 nan 0.000 0.484 48 N N 0.144 118.818 118.700 -0.043 0.000 2.727 48 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 48 N C -0.302 175.183 175.510 -0.041 0.000 1.048 48 N CA 0.356 53.385 53.050 -0.036 0.000 0.714 48 N CB -1.921 36.549 38.487 -0.029 0.000 0.959 48 N HN 0.338 nan 8.380 nan 0.000 0.544 49 c N 0.740 119.309 118.600 -0.052 0.000 2.514 49 c HA 0.637 5.207 4.570 -0.000 0.000 0.392 49 c C 1.275 175.343 174.090 -0.037 0.000 1.294 49 c CA -0.442 55.853 56.329 -0.056 0.000 1.957 49 c CB -0.584 41.877 42.510 -0.083 0.000 2.541 49 c HN 0.532 nan 8.230 nan 0.000 0.569 50 A N 8.089 130.894 122.820 -0.024 0.000 2.492 50 A HA 0.370 4.690 4.320 -0.000 0.000 0.254 50 A C -1.191 176.392 177.584 -0.002 0.000 1.091 50 A CA -0.693 51.339 52.037 -0.009 0.000 0.768 50 A CB -0.049 18.951 19.000 0.001 0.000 1.028 50 A HN 0.806 nan 8.150 nan 0.000 0.498 51 P HA -0.204 nan 4.420 nan 0.000 0.217 51 P C 1.006 178.322 177.300 0.027 0.000 1.151 51 P CA 1.703 64.810 63.100 0.011 0.000 0.849 51 P CB 0.177 31.883 31.700 0.011 0.000 0.787 52 E N -0.943 119.272 120.200 0.026 0.000 2.153 52 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 52 E C 1.583 178.210 176.600 0.046 0.000 0.988 52 E CA 1.145 57.566 56.400 0.035 0.000 0.811 52 E CB -0.344 29.374 29.700 0.030 0.000 0.746 52 E HN 0.229 nan 8.360 nan 0.000 0.466 53 S N 0.338 116.062 115.700 0.041 0.000 2.575 53 S HA 0.140 4.610 4.470 -0.000 0.000 0.215 53 S C 0.697 175.339 174.600 0.070 0.000 0.966 53 S CA -0.065 58.167 58.200 0.054 0.000 0.911 53 S CB 0.202 63.422 63.200 0.033 0.000 0.780 53 S HN 0.124 nan 8.310 nan 0.000 0.514 54 I N 3.183 123.791 120.570 0.063 0.000 2.452 54 I HA 0.094 4.264 4.170 -0.000 0.000 0.287 54 I C -0.161 176.047 176.117 0.152 0.000 1.079 54 I CA -0.019 61.332 61.300 0.084 0.000 1.387 54 I CB 0.558 38.587 38.000 0.048 0.000 1.404 54 I HN -0.006 nan 8.210 nan 0.000 0.522 55 E N 7.548 127.880 120.200 0.220 0.000 2.035 55 E HA 0.227 4.577 4.350 -0.000 0.000 0.271 55 E C -1.031 175.756 176.600 0.311 0.000 0.953 55 E CA -0.330 56.210 56.400 0.234 0.000 0.777 55 E CB 1.323 31.166 29.700 0.239 0.000 1.104 55 E HN 0.339 nan 8.360 nan 0.000 0.408 56 F N 4.320 124.313 119.950 0.071 0.000 2.809 56 F HA 0.342 4.869 4.527 0.000 0.000 0.369 56 F C -2.460 173.365 175.800 0.041 0.000 1.225 56 F CA -2.607 55.428 58.000 0.058 0.000 1.201 56 F CB 0.887 39.917 39.000 0.050 0.000 1.527 56 F HN 0.099 nan 8.300 nan 0.000 0.565 57 P HA 0.286 nan 4.420 nan 0.000 0.269 57 P C -1.121 175.915 177.300 -0.441 0.000 1.209 57 P CA -0.083 62.880 63.100 -0.229 0.000 0.776 57 P CB 1.163 32.784 31.700 -0.131 0.000 0.876 58 V N 1.918 121.664 119.914 -0.280 0.000 2.588 58 V HA 0.235 4.355 4.120 -0.000 0.000 0.304 58 V C 0.095 176.108 176.094 -0.134 0.000 1.042 58 V CA -0.606 61.539 62.300 -0.258 0.000 0.877 58 V CB 2.014 33.728 31.823 -0.181 0.000 0.996 58 V HN 0.508 nan 8.190 nan 0.000 0.425 59 S N 4.316 119.952 115.700 -0.106 0.000 2.564 59 S HA 0.449 4.919 4.470 -0.000 0.000 0.278 59 S C -0.135 174.445 174.600 -0.034 0.000 1.333 59 S CA -0.447 57.721 58.200 -0.054 0.000 1.048 59 S CB 0.365 63.550 63.200 -0.026 0.000 0.900 59 S HN 0.917 nan 8.310 nan 0.000 0.505 60 E N 0.062 120.245 120.200 -0.029 0.000 2.430 60 E HA 0.687 5.037 4.350 -0.000 0.000 0.279 60 E C -1.780 174.806 176.600 -0.023 0.000 1.003 60 E CA -1.422 54.967 56.400 -0.018 0.000 0.801 60 E CB 1.744 31.428 29.700 -0.027 0.000 1.313 60 E HN 0.486 nan 8.360 nan 0.000 0.459 61 A N 2.348 125.161 122.820 -0.013 0.000 2.586 61 A HA 0.433 4.753 4.320 -0.000 0.000 0.320 61 A C -0.598 176.952 177.584 -0.057 0.000 1.281 61 A CA -0.686 51.324 52.037 -0.046 0.000 0.775 61 A CB 0.471 19.478 19.000 0.011 0.000 1.122 61 A HN 0.478 nan 8.150 nan 0.000 0.470 62 R N 1.272 121.724 120.500 -0.079 0.000 2.265 62 R HA 0.372 4.712 4.340 -0.000 0.000 0.314 62 R C 0.208 176.456 176.300 -0.087 0.000 1.053 62 R CA -0.337 55.723 56.100 -0.067 0.000 0.931 62 R CB 1.260 31.523 30.300 -0.062 0.000 1.024 62 R HN 0.653 nan 8.270 nan 0.000 0.457 63 V N 3.156 123.031 119.914 -0.064 0.000 2.521 63 V HA 0.089 4.209 4.120 -0.000 0.000 0.286 63 V C 0.933 176.990 176.094 -0.062 0.000 1.034 63 V CA 0.018 62.278 62.300 -0.067 0.000 1.045 63 V CB 0.568 32.369 31.823 -0.036 0.000 0.974 63 V HN 0.774 nan 8.190 nan 0.000 0.480 64 L N 2.314 123.493 121.223 -0.074 0.000 2.347 64 L HA 0.404 4.744 4.340 -0.000 0.000 0.196 64 L C 1.110 177.952 176.870 -0.048 0.000 1.072 64 L CA 0.518 55.321 54.840 -0.063 0.000 0.817 64 L CB 0.068 42.081 42.059 -0.077 0.000 1.029 64 L HN 0.686 nan 8.230 nan 0.000 0.478 65 E N 0.678 120.848 120.200 -0.050 0.000 2.145 65 E HA 0.168 4.518 4.350 -0.000 0.000 0.262 65 E C -1.124 175.460 176.600 -0.026 0.000 0.883 65 E CA -0.103 56.276 56.400 -0.035 0.000 0.748 65 E CB 1.650 31.329 29.700 -0.035 0.000 1.140 65 E HN -0.028 nan 8.360 nan 0.000 0.417 66 D N 3.203 123.594 120.400 -0.016 0.000 2.739 66 D HA 0.133 4.773 4.640 -0.000 0.000 0.335 66 D C -0.701 175.599 176.300 0.001 0.000 1.216 66 D CA -0.503 53.493 54.000 -0.006 0.000 0.808 66 D CB 0.165 40.962 40.800 -0.005 0.000 1.121 66 D HN 0.147 nan 8.370 nan 0.000 0.499 67 R N 1.650 122.151 120.500 0.003 0.000 2.491 67 R HA 0.332 4.672 4.340 -0.000 0.000 0.283 67 R C -1.928 174.380 176.300 0.013 0.000 1.072 67 R CA -1.015 55.089 56.100 0.007 0.000 1.048 67 R CB 0.482 30.786 30.300 0.007 0.000 0.983 67 R HN 0.264 nan 8.270 nan 0.000 0.450 68 P HA 0.028 nan 4.420 nan 0.000 0.274 68 P C -0.556 176.757 177.300 0.022 0.000 1.246 68 P CA -0.229 62.881 63.100 0.017 0.000 0.795 68 P CB 0.627 32.335 31.700 0.013 0.000 1.006 69 L N 0.583 121.822 121.223 0.027 0.000 2.426 69 L HA 0.148 4.488 4.340 -0.000 0.000 0.271 69 L C 1.134 178.020 176.870 0.027 0.000 1.169 69 L CA -0.202 54.658 54.840 0.034 0.000 0.836 69 L CB 0.041 42.124 42.059 0.039 0.000 1.112 69 L HN 0.360 nan 8.230 nan 0.000 0.465 70 S N 1.152 116.870 115.700 0.029 0.000 2.585 70 S HA 0.158 4.628 4.470 -0.000 0.000 0.273 70 S C -0.254 174.354 174.600 0.015 0.000 1.339 70 S CA -0.812 57.400 58.200 0.019 0.000 1.028 70 S CB 1.024 64.235 63.200 0.017 0.000 0.906 70 S HN 0.536 nan 8.310 nan 0.000 0.528 71 D N 1.008 121.413 120.400 0.008 0.000 2.443 71 D HA 0.535 5.175 4.640 -0.000 0.000 0.249 71 D C 0.048 176.347 176.300 -0.001 0.000 1.218 71 D CA -0.422 53.581 54.000 0.005 0.000 1.108 71 D CB 0.433 41.236 40.800 0.005 0.000 1.197 71 D HN 0.348 nan 8.370 nan 0.000 0.600 80 V N 2.084 122.005 119.914 0.012 0.000 2.623 80 V HA 0.524 4.644 4.120 -0.000 0.000 0.304 80 V C -0.750 175.363 176.094 0.031 0.000 1.054 80 V CA -0.546 61.763 62.300 0.016 0.000 0.882 80 V CB 2.168 33.995 31.823 0.007 0.000 1.002 80 V HN 0.820 nan 8.190 nan 0.000 0.424 81 T N 4.503 119.078 114.554 0.036 0.000 2.770 81 T HA 0.324 4.674 4.350 -0.000 0.000 0.297 81 T C 0.619 175.364 174.700 0.074 0.000 0.997 81 T CA -0.280 61.850 62.100 0.050 0.000 0.949 81 T CB 1.385 70.275 68.868 0.037 0.000 0.941 81 T HN 0.735 nan 8.240 nan 0.000 0.457 82 Q N 1.496 121.366 119.800 0.116 0.000 2.396 82 Q HA 0.210 4.550 4.340 -0.000 0.000 0.220 82 Q C 0.298 176.382 176.000 0.141 0.000 0.900 82 Q CA 0.294 56.205 55.803 0.180 0.000 0.925 82 Q CB 0.792 29.737 28.738 0.345 0.000 1.065 82 Q HN 0.413 nan 8.270 nan 0.000 0.535 83 V N 0.421 120.395 119.914 0.101 0.000 2.581 83 V HA 0.496 4.616 4.120 -0.000 0.000 0.303 83 V C -0.456 175.669 176.094 0.052 0.000 1.041 83 V CA -0.587 61.748 62.300 0.058 0.000 0.907 83 V CB 1.821 33.666 31.823 0.037 0.000 0.994 83 V HN -0.029 nan 8.190 nan 0.000 0.442 84 S N 5.275 121.007 115.700 0.054 0.000 2.649 84 S HA 0.634 5.104 4.470 -0.000 0.000 0.274 84 S C -2.954 171.680 174.600 0.057 0.000 1.176 84 S CA -0.892 57.336 58.200 0.045 0.000 0.988 84 S CB 2.197 65.421 63.200 0.041 0.000 1.071 84 S HN 0.520 nan 8.310 nan 0.000 0.478 85 P HA 0.469 nan 4.420 nan 0.000 0.279 85 P C -0.094 177.207 177.300 0.001 0.000 1.282 85 P CA -0.322 62.786 63.100 0.014 0.000 0.788 85 P CB 0.614 32.311 31.700 -0.005 0.000 1.139 86 Q N -1.322 118.467 119.800 -0.019 0.000 2.390 86 Q HA 0.215 4.554 4.340 -0.000 0.000 0.216 86 Q C 0.665 176.625 176.000 -0.066 0.000 0.916 86 Q CA 0.838 56.624 55.803 -0.028 0.000 0.911 86 Q CB 0.407 29.135 28.738 -0.018 0.000 1.035 86 Q HN 0.265 nan 8.270 nan 0.000 0.541 87 R N 0.271 120.721 120.500 -0.084 0.000 2.686 87 R HA 0.661 5.001 4.340 -0.000 0.000 0.283 87 R C -1.526 174.680 176.300 -0.157 0.000 0.978 87 R CA -0.402 55.623 56.100 -0.125 0.000 0.897 87 R CB 1.138 31.377 30.300 -0.101 0.000 1.192 87 R HN 0.055 nan 8.270 nan 0.000 0.457 88 I N 2.180 122.613 120.570 -0.229 0.000 2.656 88 I HA 0.405 4.575 4.170 -0.000 0.000 0.292 88 I C -0.893 175.055 176.117 -0.282 0.000 1.144 88 I CA -0.946 60.191 61.300 -0.272 0.000 1.038 88 I CB 2.313 40.063 38.000 -0.416 0.000 1.244 88 I HN 0.735 nan 8.210 nan 0.000 0.420 89 A N 7.332 130.018 122.820 -0.223 0.000 2.260 89 A HA 0.718 5.038 4.320 -0.000 0.000 0.314 89 A C -0.979 176.484 177.584 -0.201 0.000 1.257 89 A CA -0.388 51.529 52.037 -0.200 0.000 0.871 89 A CB 0.689 19.604 19.000 -0.143 0.000 1.166 89 A HN 0.671 nan 8.150 nan 0.000 0.522 90 L N 2.684 123.777 121.223 -0.216 0.000 2.272 90 L HA 0.517 4.857 4.340 -0.000 0.000 0.289 90 L C 0.167 176.932 176.870 -0.175 0.000 1.032 90 L CA -0.722 54.011 54.840 -0.178 0.000 0.810 90 L CB 1.414 43.377 42.059 -0.159 0.000 1.205 90 L HN 0.820 nan 8.230 nan 0.000 0.422 91 R N 4.807 125.234 120.500 -0.120 0.000 2.246 91 R HA 0.616 4.957 4.340 -0.000 0.000 0.332 91 R C -1.710 174.549 176.300 -0.067 0.000 0.974 91 R CA -0.100 55.936 56.100 -0.107 0.000 0.837 91 R CB 0.545 30.798 30.300 -0.078 0.000 1.145 91 R HN 0.545 nan 8.270 nan 0.000 0.467 92 L N 5.271 126.460 121.223 -0.057 0.000 2.365 92 L HA 0.643 4.983 4.340 -0.000 0.000 0.273 92 L C 0.052 176.983 176.870 0.102 0.000 1.000 92 L CA -1.085 53.781 54.840 0.043 0.000 0.819 92 L CB 2.036 44.169 42.059 0.123 0.000 1.284 92 L HN 0.699 nan 8.230 nan 0.000 0.418 93 R N 1.885 122.422 120.500 0.061 0.000 2.782 93 R HA 0.655 4.995 4.340 -0.000 0.000 0.258 93 R C -2.724 173.611 176.300 0.059 0.000 1.055 93 R CA -2.137 53.992 56.100 0.049 0.000 1.065 93 R CB 0.110 30.399 30.300 -0.019 0.000 1.172 93 R HN 0.165 nan 8.270 nan 0.000 0.510 94 P HA -0.098 nan 4.420 nan 0.000 0.260 94 P C -0.759 176.551 177.300 0.016 0.000 1.172 94 P CA 0.900 64.007 63.100 0.012 0.000 0.760 94 P CB 0.151 31.848 31.700 -0.005 0.000 0.773 95 D N -0.720 119.687 120.400 0.013 0.000 3.046 95 D HA -0.183 4.457 4.640 -0.000 0.000 0.210 95 D C 0.304 176.618 176.300 0.024 0.000 1.124 95 D CA 1.342 55.349 54.000 0.012 0.000 0.986 95 D CB -0.940 39.863 40.800 0.006 0.000 1.118 95 D HN 0.424 nan 8.370 nan 0.000 0.416 96 D N -0.062 120.358 120.400 0.034 0.000 2.423 96 D HA 0.519 5.159 4.640 -0.000 0.000 0.255 96 D C -0.078 176.246 176.300 0.039 0.000 1.174 96 D CA 0.029 54.047 54.000 0.030 0.000 1.008 96 D CB 0.958 41.768 40.800 0.018 0.000 1.101 96 D HN 0.065 nan 8.370 nan 0.000 0.516 97 S N 0.367 116.084 115.700 0.030 0.000 2.689 97 S HA 0.476 4.946 4.470 -0.000 0.000 0.274 97 S C -0.951 173.667 174.600 0.030 0.000 1.176 97 S CA -1.078 57.141 58.200 0.032 0.000 1.014 97 S CB 1.657 64.863 63.200 0.010 0.000 1.071 97 S HN 0.261 nan 8.310 nan 0.000 0.478 98 K N 2.837 123.272 120.400 0.057 0.000 2.164 98 K HA 0.507 4.827 4.320 -0.000 0.000 0.258 98 K C -0.337 176.322 176.600 0.098 0.000 0.951 98 K CA -0.584 55.745 56.287 0.071 0.000 0.844 98 K CB 0.950 33.499 32.500 0.083 0.000 1.099 98 K HN 0.850 nan 8.250 nan 0.000 0.435 99 N N 3.188 121.917 118.700 0.050 0.000 2.417 99 N HA 0.486 5.226 4.740 -0.000 0.000 0.300 99 N C -0.851 174.697 175.510 0.064 0.000 1.102 99 N CA -0.428 52.588 53.050 -0.056 0.000 0.886 99 N CB 1.110 39.528 38.487 -0.115 0.000 1.203 99 N HN 0.437 nan 8.380 nan 0.000 0.496 100 F N -1.817 118.124 119.950 -0.015 0.000 2.692 100 F HA 0.698 5.225 4.527 -0.000 0.000 0.320 100 F C -0.433 175.377 175.800 0.017 0.000 1.123 100 F CA -1.205 56.794 58.000 -0.001 0.000 0.961 100 F CB 1.394 40.392 39.000 -0.003 0.000 1.383 100 F HN 0.455 nan 8.300 nan 0.000 0.483 101 S N 0.755 116.612 115.700 0.261 0.000 2.600 101 S HA 0.827 5.297 4.470 -0.000 0.000 0.300 101 S C -1.395 173.350 174.600 0.241 0.000 1.087 101 S CA -0.685 57.614 58.200 0.165 0.000 0.965 101 S CB 1.371 64.633 63.200 0.104 0.000 1.089 101 S HN 0.816 nan 8.310 nan 0.000 0.496 102 I N 2.333 123.032 120.570 0.214 0.000 2.692 102 I HA 0.398 4.568 4.170 -0.000 0.000 0.293 102 I C -1.453 174.783 176.117 0.199 0.000 1.200 102 I CA -0.386 61.044 61.300 0.217 0.000 1.036 102 I CB 1.949 40.106 38.000 0.261 0.000 1.258 102 I HN 0.659 nan 8.210 nan 0.000 0.421 103 Q N 5.421 125.302 119.800 0.136 0.000 2.342 103 Q HA 0.676 5.016 4.340 -0.000 0.000 0.267 103 Q C -1.518 174.539 176.000 0.095 0.000 1.038 103 Q CA -0.863 55.000 55.803 0.099 0.000 0.832 103 Q CB 3.288 32.059 28.738 0.055 0.000 1.323 103 Q HN 0.440 nan 8.270 nan 0.000 0.448 104 V N 1.998 121.961 119.914 0.083 0.000 2.735 104 V HA 0.592 4.712 4.120 -0.000 0.000 0.310 104 V C -0.583 175.550 176.094 0.066 0.000 1.061 104 V CA -0.814 61.513 62.300 0.045 0.000 0.913 104 V CB 2.156 33.969 31.823 -0.018 0.000 1.005 104 V HN 0.659 nan 8.190 nan 0.000 0.428 105 R N 2.301 122.873 120.500 0.121 0.000 2.574 105 R HA 0.456 4.796 4.340 -0.000 0.000 0.288 105 R C -1.010 175.447 176.300 0.262 0.000 1.004 105 R CA -0.824 55.365 56.100 0.148 0.000 0.895 105 R CB 1.898 32.254 30.300 0.094 0.000 1.191 105 R HN 0.726 nan 8.270 nan 0.000 0.444 106 Q N 3.568 123.511 119.800 0.239 0.000 2.452 106 Q HA 0.141 4.481 4.340 -0.000 0.000 0.230 106 Q C -0.409 175.598 176.000 0.013 0.000 1.180 106 Q CA 0.147 56.055 55.803 0.175 0.000 0.914 106 Q CB 0.870 29.704 28.738 0.160 0.000 1.408 106 Q HN 0.583 nan 8.270 nan 0.000 0.520 107 V N 2.480 122.396 119.914 0.003 0.000 2.795 107 V HA 0.077 4.197 4.120 -0.000 0.000 0.243 107 V C 0.920 176.955 176.094 -0.098 0.000 1.069 107 V CA 0.524 62.804 62.300 -0.034 0.000 1.089 107 V CB -0.246 31.580 31.823 0.006 0.000 0.756 107 V HN 0.681 nan 8.190 nan 0.000 0.471 108 E N 0.832 120.949 120.200 -0.138 0.000 2.392 108 E HA 0.067 4.417 4.350 -0.000 0.000 0.259 108 E C -0.751 175.710 176.600 -0.232 0.000 1.108 108 E CA -0.541 55.765 56.400 -0.156 0.000 0.916 108 E CB 0.550 30.153 29.700 -0.161 0.000 0.989 108 E HN 0.335 nan 8.360 nan 0.000 0.432 109 D N 1.463 121.772 120.400 -0.152 0.000 2.341 109 D HA 0.072 4.712 4.640 -0.000 0.000 0.245 109 D C -0.684 175.568 176.300 -0.079 0.000 1.106 109 D CA 0.202 54.132 54.000 -0.117 0.000 0.905 109 D CB 0.275 41.072 40.800 -0.006 0.000 1.202 109 D HN 0.255 nan 8.370 nan 0.000 0.426 110 Y N 1.289 121.652 120.300 0.105 0.000 2.411 110 Y HA 0.192 4.742 4.550 -0.000 0.000 0.333 110 Y C -1.552 174.394 175.900 0.077 0.000 1.186 110 Y CA -2.170 55.944 58.100 0.023 0.000 1.381 110 Y CB -0.094 38.307 38.460 -0.098 0.000 1.273 110 Y HN 0.098 nan 8.280 nan 0.000 0.546 111 P HA 0.170 nan 4.420 nan 0.000 0.276 111 P C -1.013 176.360 177.300 0.121 0.000 1.235 111 P CA 0.039 63.214 63.100 0.125 0.000 0.772 111 P CB 1.244 32.990 31.700 0.077 0.000 0.871 112 V N 3.783 123.778 119.914 0.136 0.000 2.638 112 V HA 0.339 4.459 4.120 -0.000 0.000 0.306 112 V C -0.436 175.754 176.094 0.159 0.000 1.052 112 V CA -0.491 61.894 62.300 0.142 0.000 0.885 112 V CB 2.291 34.224 31.823 0.183 0.000 0.999 112 V HN 0.428 nan 8.190 nan 0.000 0.424 113 D N 4.118 124.664 120.400 0.244 0.000 2.308 113 D HA 0.619 5.259 4.640 -0.000 0.000 0.242 113 D C -0.626 175.908 176.300 0.390 0.000 1.059 113 D CA -0.044 54.160 54.000 0.340 0.000 0.830 113 D CB 2.401 43.558 40.800 0.595 0.000 1.161 113 D HN 0.345 nan 8.370 nan 0.000 0.494 114 I N 2.433 123.156 120.570 0.255 0.000 2.389 114 I HA 0.235 4.405 4.170 -0.000 0.000 0.288 114 I C -1.060 175.237 176.117 0.299 0.000 0.999 114 I CA -1.009 60.448 61.300 0.262 0.000 1.129 114 I CB 1.382 39.434 38.000 0.088 0.000 1.288 114 I HN 0.226 nan 8.210 nan 0.000 0.444 115 Y N 7.135 127.613 120.300 0.296 0.000 2.352 115 Y HA 0.426 4.976 4.550 -0.000 0.000 0.339 115 Y C -1.313 174.849 175.900 0.436 0.000 0.992 115 Y CA -0.750 57.515 58.100 0.276 0.000 1.100 115 Y CB 1.230 39.778 38.460 0.147 0.000 1.192 115 Y HN 0.420 nan 8.280 nan 0.000 0.458 116 Y N 6.742 126.938 120.300 -0.173 0.000 2.331 116 Y HA 0.525 5.075 4.550 -0.000 0.000 0.338 116 Y C -1.509 174.364 175.900 -0.046 0.000 0.976 116 Y CA -1.652 56.452 58.100 0.008 0.000 1.137 116 Y CB 0.821 39.368 38.460 0.146 0.000 1.172 116 Y HN 0.606 nan 8.280 nan 0.000 0.478 117 L N 7.701 128.882 121.223 -0.071 0.000 2.280 117 L HA 0.473 4.813 4.340 -0.000 0.000 0.287 117 L C -0.677 176.043 176.870 -0.251 0.000 1.023 117 L CA -0.414 54.456 54.840 0.049 0.000 0.819 117 L CB 0.975 43.277 42.059 0.405 0.000 1.212 117 L HN 0.618 nan 8.230 nan 0.000 0.420 118 M N 3.282 122.728 119.600 -0.257 0.000 2.088 118 M HA 0.204 4.684 4.480 -0.000 0.000 0.346 118 M C -0.367 175.530 176.300 -0.672 0.000 1.111 118 M CA -0.606 54.417 55.300 -0.461 0.000 1.017 118 M CB 1.253 33.650 32.600 -0.339 0.000 1.568 118 M HN 0.353 nan 8.290 nan 0.000 0.445 119 D N 4.271 124.121 120.400 -0.917 0.000 2.382 119 D HA 0.085 4.725 4.640 -0.000 0.000 0.259 119 D C -0.341 175.609 176.300 -0.584 0.000 1.224 119 D CA 0.438 53.720 54.000 -1.196 0.000 0.894 119 D CB 0.657 41.059 40.800 -0.665 0.000 1.127 119 D HN 0.641 nan 8.370 nan 0.000 0.487 120 L N 3.346 124.275 121.223 -0.490 0.000 3.218 120 L HA 0.106 4.446 4.340 -0.000 0.000 0.279 120 L C 0.811 177.594 176.870 -0.145 0.000 1.287 120 L CA -0.413 54.301 54.840 -0.210 0.000 1.024 120 L CB 0.111 42.145 42.059 -0.042 0.000 1.409 120 L HN 0.274 nan 8.230 nan 0.000 0.580 121 S N -2.038 113.568 115.700 -0.156 0.000 2.655 121 S HA 0.059 4.529 4.470 -0.000 0.000 0.265 121 S C 0.888 175.518 174.600 0.050 0.000 1.240 121 S CA -0.332 57.852 58.200 -0.026 0.000 0.986 121 S CB 0.772 63.973 63.200 0.001 0.000 0.985 121 S HN 0.258 nan 8.310 nan 0.000 0.562 122 Y N 1.458 121.760 120.300 0.003 0.000 2.352 122 Y HA -0.079 4.471 4.550 -0.000 0.000 0.292 122 Y C 2.662 178.569 175.900 0.012 0.000 1.136 122 Y CA 1.613 59.723 58.100 0.017 0.000 1.227 122 Y CB -0.632 37.853 38.460 0.042 0.000 0.991 122 Y HN 0.832 nan 8.280 nan 0.000 0.545 123 S N -1.157 114.571 115.700 0.046 0.000 2.474 123 S HA -0.133 4.337 4.470 -0.000 0.000 0.235 123 S C 1.629 176.180 174.600 -0.081 0.000 0.997 123 S CA 0.944 59.134 58.200 -0.017 0.000 0.949 123 S CB -0.356 62.866 63.200 0.038 0.000 0.766 123 S HN 0.359 nan 8.310 nan 0.000 0.517 124 M N 1.115 120.657 119.600 -0.097 0.000 2.561 124 M HA 0.243 4.723 4.480 -0.000 0.000 0.238 124 M C 1.864 178.089 176.300 -0.125 0.000 1.131 124 M CA 0.389 55.627 55.300 -0.103 0.000 1.046 124 M CB -0.811 31.717 32.600 -0.119 0.000 1.532 124 M HN 0.453 nan 8.290 nan 0.000 0.497 125 K N 1.840 122.112 120.400 -0.213 0.000 2.015 125 K HA -0.228 4.092 4.320 -0.000 0.000 0.216 125 K C 1.392 177.915 176.600 -0.129 0.000 1.052 125 K CA 2.301 58.447 56.287 -0.234 0.000 0.937 125 K CB -0.108 32.105 32.500 -0.477 0.000 0.719 125 K HN 0.429 nan 8.250 nan 0.000 0.446 126 D N -0.277 120.051 120.400 -0.120 0.000 2.350 126 D HA -0.162 4.478 4.640 -0.000 0.000 0.216 126 D C 0.623 176.917 176.300 -0.011 0.000 0.968 126 D CA 0.904 54.869 54.000 -0.058 0.000 0.894 126 D CB -0.141 40.625 40.800 -0.057 0.000 0.909 126 D HN 0.314 nan 8.370 nan 0.000 0.520 127 D N 0.079 120.469 120.400 -0.017 0.000 2.360 127 D HA 0.003 4.643 4.640 -0.000 0.000 0.210 127 D C 2.005 178.328 176.300 0.037 0.000 1.047 127 D CA -0.224 53.786 54.000 0.018 0.000 0.854 127 D CB 0.487 41.279 40.800 -0.012 0.000 0.936 127 D HN 0.139 nan 8.370 nan 0.000 0.514 128 L N 0.010 121.247 121.223 0.022 0.000 2.046 128 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 128 L C 2.040 178.936 176.870 0.043 0.000 1.077 128 L CA 1.564 56.407 54.840 0.004 0.000 0.747 128 L CB -0.558 41.495 42.059 -0.011 0.000 0.896 128 L HN 0.109 nan 8.230 nan 0.000 0.432 129 W N -0.186 121.081 121.300 -0.054 0.000 2.335 129 W HA -0.240 4.420 4.660 -0.000 0.000 0.311 129 W C 2.660 179.159 176.519 -0.033 0.000 1.213 129 W CA 2.185 59.504 57.345 -0.044 0.000 1.274 129 W CB -0.279 29.158 29.460 -0.038 0.000 1.148 129 W HN 0.110 nan 8.180 nan 0.000 0.498 130 S N 0.769 116.655 115.700 0.311 0.000 2.359 130 S HA -0.263 4.207 4.470 -0.000 0.000 0.224 130 S C 1.856 176.451 174.600 -0.010 0.000 1.035 130 S CA 1.970 60.293 58.200 0.205 0.000 1.018 130 S CB -0.889 62.428 63.200 0.194 0.000 0.876 130 S HN 0.540 nan 8.310 nan 0.000 0.448 131 I N -0.411 120.152 120.570 -0.011 0.000 2.617 131 I HA -0.073 4.097 4.170 -0.000 0.000 0.256 131 I C 2.126 178.232 176.117 -0.019 0.000 1.167 131 I CA 1.115 62.434 61.300 0.031 0.000 1.469 131 I CB -0.460 37.532 38.000 -0.014 0.000 1.098 131 I HN 0.189 nan 8.210 nan 0.000 0.436 132 Q N 1.421 121.106 119.800 -0.192 0.000 2.083 132 Q HA -0.182 4.158 4.340 -0.000 0.000 0.198 132 Q C 2.003 177.751 176.000 -0.420 0.000 0.969 132 Q CA 1.945 57.561 55.803 -0.312 0.000 0.838 132 Q CB -0.255 28.261 28.738 -0.369 0.000 0.900 132 Q HN 0.616 nan 8.270 nan 0.000 0.436 133 N N 0.813 119.142 118.700 -0.620 0.000 2.058 133 N HA -0.195 4.545 4.740 -0.000 0.000 0.191 133 N C 1.643 176.963 175.510 -0.317 0.000 1.037 133 N CA 0.863 53.538 53.050 -0.626 0.000 0.848 133 N CB -0.227 37.676 38.487 -0.973 0.000 1.021 133 N HN 0.131 nan 8.380 nan 0.000 0.422 134 L N 0.348 121.442 121.223 -0.216 0.000 2.079 134 L HA 0.023 4.363 4.340 -0.000 0.000 0.210 134 L C 2.062 178.759 176.870 -0.289 0.000 1.081 134 L CA 2.157 56.905 54.840 -0.153 0.000 0.752 134 L CB -1.229 40.813 42.059 -0.028 0.000 0.896 134 L HN 0.310 nan 8.230 nan 0.000 0.433 135 G N -1.587 106.998 108.800 -0.359 0.000 2.459 135 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.217 135 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.217 135 G C 1.493 176.324 174.900 -0.116 0.000 1.183 135 G CA 1.488 46.308 45.100 -0.466 0.000 0.776 135 G HN 0.522 nan 8.290 nan 0.000 0.552 136 T N -1.139 113.345 114.554 -0.116 0.000 2.951 136 T HA 0.088 4.438 4.350 -0.000 0.000 0.268 136 T C 2.117 176.776 174.700 -0.069 0.000 1.073 136 T CA 1.184 63.264 62.100 -0.033 0.000 1.134 136 T CB -0.034 68.773 68.868 -0.100 0.000 0.884 136 T HN 0.140 nan 8.240 nan 0.000 0.479 137 K N 0.944 121.275 120.400 -0.114 0.000 2.228 137 K HA 0.232 4.552 4.320 -0.000 0.000 0.202 137 K C 2.231 178.772 176.600 -0.099 0.000 1.051 137 K CA 0.391 56.621 56.287 -0.094 0.000 0.960 137 K CB -0.460 31.988 32.500 -0.086 0.000 0.743 137 K HN 0.397 nan 8.250 nan 0.000 0.458 138 L N 0.754 121.894 121.223 -0.138 0.000 2.017 138 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 138 L C 2.583 179.365 176.870 -0.147 0.000 1.073 138 L CA 1.381 56.131 54.840 -0.150 0.000 0.745 138 L CB -0.634 41.288 42.059 -0.228 0.000 0.894 138 L HN 0.112 nan 8.230 nan 0.000 0.432 139 A N -0.678 122.045 122.820 -0.162 0.000 1.892 139 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 139 A C 2.351 179.869 177.584 -0.110 0.000 1.188 139 A CA 2.575 54.510 52.037 -0.171 0.000 0.631 139 A CB -1.012 17.907 19.000 -0.136 0.000 0.822 139 A HN 0.416 nan 8.150 nan 0.000 0.447 140 T N -0.808 113.697 114.554 -0.082 0.000 2.701 140 T HA -0.152 4.198 4.350 -0.000 0.000 0.263 140 T C 2.142 176.798 174.700 -0.073 0.000 1.040 140 T CA 1.761 63.821 62.100 -0.066 0.000 1.147 140 T CB -0.271 68.566 68.868 -0.051 0.000 0.865 140 T HN 0.593 nan 8.240 nan 0.000 0.426 141 Q N 0.637 120.392 119.800 -0.075 0.000 2.096 141 Q HA -0.073 4.267 4.340 -0.000 0.000 0.204 141 Q C 2.127 178.067 176.000 -0.101 0.000 0.982 141 Q CA 1.612 57.370 55.803 -0.075 0.000 0.850 141 Q CB -0.422 28.279 28.738 -0.061 0.000 0.901 141 Q HN 0.379 nan 8.270 nan 0.000 0.422 142 M N -0.585 118.952 119.600 -0.105 0.000 2.349 142 M HA 0.068 4.548 4.480 -0.000 0.000 0.266 142 M C 1.856 178.076 176.300 -0.133 0.000 1.076 142 M CA 1.311 56.538 55.300 -0.123 0.000 1.126 142 M CB -0.127 32.419 32.600 -0.089 0.000 1.392 142 M HN 0.152 nan 8.290 nan 0.000 0.440 143 R N 1.021 121.456 120.500 -0.108 0.000 2.081 143 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 143 R C 1.849 178.088 176.300 -0.100 0.000 1.131 143 R CA 2.091 58.136 56.100 -0.092 0.000 0.960 143 R CB -0.475 29.781 30.300 -0.073 0.000 0.856 143 R HN 0.579 nan 8.270 nan 0.000 0.436 144 K N -0.375 119.962 120.400 -0.104 0.000 2.432 144 K HA -0.020 4.300 4.320 -0.000 0.000 0.196 144 K C 1.656 178.168 176.600 -0.148 0.000 1.038 144 K CA 0.928 57.154 56.287 -0.101 0.000 0.986 144 K CB 0.034 32.487 32.500 -0.078 0.000 0.782 144 K HN 0.249 nan 8.250 nan 0.000 0.485 145 L N 0.608 121.694 121.223 -0.227 0.000 2.253 145 L HA 0.077 4.417 4.340 -0.000 0.000 0.205 145 L C 0.767 177.374 176.870 -0.439 0.000 1.078 145 L CA 0.554 55.146 54.840 -0.414 0.000 0.805 145 L CB 0.697 42.379 42.059 -0.628 0.000 0.963 145 L HN 0.249 nan 8.230 nan 0.000 0.459 146 T N -2.451 111.941 114.554 -0.271 0.000 3.172 146 T HA 0.138 4.488 4.350 -0.000 0.000 0.320 146 T C 0.723 175.385 174.700 -0.064 0.000 1.085 146 T CA -0.076 61.951 62.100 -0.122 0.000 1.052 146 T CB 1.446 70.308 68.868 -0.010 0.000 1.107 146 T HN 0.125 nan 8.240 nan 0.000 0.458 147 S N 3.727 119.403 115.700 -0.040 0.000 2.453 147 S HA 0.027 4.497 4.470 -0.000 0.000 0.231 147 S C 0.945 175.537 174.600 -0.013 0.000 1.005 147 S CA 0.354 58.536 58.200 -0.030 0.000 0.949 147 S CB -0.279 62.905 63.200 -0.027 0.000 0.774 147 S HN 0.625 nan 8.310 nan 0.000 0.510 148 N N 1.625 120.329 118.700 0.006 0.000 3.034 148 N HA 0.388 5.128 4.740 -0.000 0.000 0.265 148 N C -1.207 174.325 175.510 0.037 0.000 1.166 148 N CA -0.406 52.657 53.050 0.023 0.000 1.081 148 N CB 0.088 38.596 38.487 0.034 0.000 1.378 148 N HN 0.428 nan 8.380 nan 0.000 0.520 149 L N 2.035 123.268 121.223 0.015 0.000 2.362 149 L HA 0.629 4.969 4.340 -0.000 0.000 0.271 149 L C -0.879 175.993 176.870 0.003 0.000 1.002 149 L CA -0.514 54.333 54.840 0.011 0.000 0.818 149 L CB 1.521 43.564 42.059 -0.027 0.000 1.298 149 L HN 0.204 nan 8.230 nan 0.000 0.420 150 R N 5.475 125.984 120.500 0.016 0.000 2.538 150 R HA 0.617 4.957 4.340 -0.000 0.000 0.292 150 R C -1.422 174.867 176.300 -0.018 0.000 1.008 150 R CA -0.670 55.431 56.100 0.003 0.000 0.896 150 R CB 2.275 32.595 30.300 0.033 0.000 1.187 150 R HN 0.720 nan 8.270 nan 0.000 0.440 151 I N 0.964 121.480 120.570 -0.090 0.000 2.740 151 I HA 0.791 4.961 4.170 -0.000 0.000 0.303 151 I C -0.484 175.609 176.117 -0.040 0.000 1.044 151 I CA -0.390 60.797 61.300 -0.188 0.000 1.064 151 I CB 2.301 39.945 38.000 -0.594 0.000 1.249 151 I HN 0.756 nan 8.210 nan 0.000 0.433 152 G N 4.425 113.309 108.800 0.140 0.000 2.600 152 G HA2 0.646 4.606 3.960 -0.000 0.000 0.293 152 G HA3 0.646 4.606 3.960 -0.000 0.000 0.293 152 G C -1.791 173.417 174.900 0.515 0.000 1.408 152 G CA -0.522 44.846 45.100 0.448 0.000 0.782 152 G HN 0.761 nan 8.290 nan 0.000 0.482 153 F N -1.911 118.101 119.950 0.103 0.000 2.773 153 F HA 0.881 5.408 4.527 -0.000 0.000 0.314 153 F C -0.167 175.513 175.800 -0.200 0.000 1.160 153 F CA -0.462 57.347 58.000 -0.318 0.000 0.920 153 F CB 1.440 40.466 39.000 0.043 0.000 1.323 153 F HN 1.165 nan 8.300 nan 0.000 0.457 154 G N 0.007 108.724 108.800 -0.138 0.000 2.708 154 G HA2 0.850 4.811 3.960 -0.000 0.000 0.289 154 G HA3 0.850 4.811 3.960 -0.000 0.000 0.289 154 G C -2.292 172.787 174.900 0.299 0.000 1.416 154 G CA -0.572 44.584 45.100 0.093 0.000 0.829 154 G HN 1.325 nan 8.290 nan 0.000 0.480 155 A N -0.771 122.231 122.820 0.303 0.000 2.423 155 A HA 0.975 5.295 4.320 -0.000 0.000 0.304 155 A C -1.068 176.907 177.584 0.652 0.000 1.104 155 A CA -0.729 51.526 52.037 0.363 0.000 0.757 155 A CB 1.393 20.590 19.000 0.329 0.000 1.313 155 A HN 1.881 nan 8.150 nan 0.000 0.423 156 F N -0.693 119.480 119.950 0.370 0.000 2.626 156 F HA 0.789 5.316 4.527 -0.000 0.000 0.311 156 F C -0.471 175.280 175.800 -0.082 0.000 1.088 156 F CA -0.784 57.369 58.000 0.254 0.000 0.949 156 F CB 0.904 40.097 39.000 0.323 0.000 1.322 156 F HN 0.332 nan 8.300 nan 0.000 0.461 157 V N -0.787 119.124 119.914 -0.005 0.000 3.914 157 V HA 0.419 4.539 4.120 -0.000 0.000 0.187 157 V C -0.929 175.286 176.094 0.202 0.000 1.258 157 V CA 0.635 62.893 62.300 -0.070 0.000 1.298 157 V CB 0.645 32.246 31.823 -0.371 0.000 1.453 157 V HN 0.898 nan 8.190 nan 0.000 0.553 158 D N -1.214 119.267 120.400 0.136 0.000 2.769 158 D HA 0.222 4.862 4.640 -0.000 0.000 0.309 158 D C -1.523 174.861 176.300 0.140 0.000 1.315 158 D CA -0.606 53.492 54.000 0.164 0.000 0.780 158 D CB 1.359 42.219 40.800 0.098 0.000 1.312 158 D HN 0.060 nan 8.370 nan 0.000 0.437 159 K N 1.754 122.205 120.400 0.085 0.000 2.419 159 K HA 0.203 4.523 4.320 -0.000 0.000 0.282 159 K C -1.933 174.788 176.600 0.201 0.000 1.056 159 K CA -0.997 55.358 56.287 0.113 0.000 1.035 159 K CB 0.443 32.968 32.500 0.043 0.000 0.921 159 K HN 0.098 nan 8.250 nan 0.000 0.472 160 P HA 0.005 nan 4.420 nan 0.000 0.241 160 P C -0.811 176.561 177.300 0.120 0.000 1.760 160 P CA 0.130 63.319 63.100 0.149 0.000 1.081 160 P CB 0.177 31.964 31.700 0.145 0.000 1.975 161 V N 1.101 121.104 119.914 0.148 0.000 3.000 161 V HA 0.326 4.446 4.120 -0.000 0.000 0.300 161 V C -0.378 175.712 176.094 -0.006 0.000 1.251 161 V CA -0.748 61.592 62.300 0.067 0.000 0.972 161 V CB 2.325 34.179 31.823 0.051 0.000 1.065 161 V HN 0.260 nan 8.190 nan 0.000 0.431 162 S N 6.101 121.758 115.700 -0.072 0.000 2.558 162 S HA 0.309 4.779 4.470 -0.000 0.000 0.288 162 S C -1.538 172.874 174.600 -0.314 0.000 1.318 162 S CA 0.132 58.240 58.200 -0.153 0.000 1.056 162 S CB 1.060 64.197 63.200 -0.105 0.000 0.853 162 S HN 0.825 nan 8.310 nan 0.000 0.505 163 P HA 0.149 nan 4.420 nan 0.000 0.262 163 P C 0.245 177.381 177.300 -0.272 0.000 1.304 163 P CA 0.168 63.080 63.100 -0.313 0.000 0.859 163 P CB -0.160 31.384 31.700 -0.261 0.000 1.310 164 Y N -0.329 119.941 120.300 -0.050 0.000 2.200 164 Y HA 0.033 4.583 4.550 -0.000 0.000 0.290 164 Y C 1.838 177.672 175.900 -0.110 0.000 1.137 164 Y CA 0.141 58.221 58.100 -0.033 0.000 1.163 164 Y CB -0.278 38.213 38.460 0.052 0.000 0.988 164 Y HN -0.052 nan 8.280 nan 0.000 0.518 165 M N 0.219 119.845 119.600 0.043 0.000 2.264 165 M HA 0.240 4.720 4.480 -0.000 0.000 0.352 165 M C -1.450 174.802 176.300 -0.079 0.000 1.173 165 M CA -0.722 54.592 55.300 0.023 0.000 1.075 165 M CB 0.677 33.330 32.600 0.087 0.000 1.621 165 M HN 0.039 nan 8.290 nan 0.000 0.457 166 Y N 5.403 125.734 120.300 0.052 0.000 2.496 166 Y HA 0.127 4.677 4.550 -0.000 0.000 0.334 166 Y C 0.999 176.911 175.900 0.019 0.000 1.080 166 Y CA 0.017 58.135 58.100 0.030 0.000 1.355 166 Y CB -0.014 38.463 38.460 0.027 0.000 1.193 166 Y HN 0.637 nan 8.280 nan 0.000 0.523 167 I N -0.199 120.446 120.570 0.125 0.000 3.927 167 I HA 0.403 4.573 4.170 -0.000 0.000 0.332 167 I C -0.133 176.014 176.117 0.050 0.000 1.485 167 I CA -0.177 61.163 61.300 0.067 0.000 1.131 167 I CB 0.138 38.154 38.000 0.026 0.000 1.092 167 I HN 0.380 nan 8.210 nan 0.000 0.410 168 S N -0.002 115.742 115.700 0.074 0.000 2.537 168 S HA 0.703 5.173 4.470 -0.000 0.000 0.271 168 S C -3.006 171.614 174.600 0.034 0.000 1.148 168 S CA -0.843 57.377 58.200 0.033 0.000 0.868 168 S CB 1.504 64.724 63.200 0.034 0.000 1.115 168 S HN -0.015 nan 8.310 nan 0.000 0.461 169 P HA 0.432 nan 4.420 nan 0.000 0.286 169 P C -2.081 175.142 177.300 -0.129 0.000 1.293 169 P CA -1.443 61.605 63.100 -0.086 0.000 0.770 169 P CB -0.465 31.154 31.700 -0.135 0.000 1.206 170 P HA -0.163 nan 4.420 nan 0.000 0.218 170 P C 0.916 178.122 177.300 -0.157 0.000 1.146 170 P CA 1.426 64.460 63.100 -0.110 0.000 0.813 170 P CB -0.052 31.594 31.700 -0.090 0.000 0.778 171 E N -0.560 119.458 120.200 -0.304 0.000 2.268 171 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 171 E C 2.049 178.496 176.600 -0.255 0.000 0.995 171 E CA 1.098 57.267 56.400 -0.385 0.000 0.836 171 E CB -0.901 28.262 29.700 -0.894 0.000 0.763 171 E HN 0.182 nan 8.360 nan 0.000 0.491 172 A N 0.356 123.053 122.820 -0.204 0.000 2.066 172 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 172 A C 1.989 179.583 177.584 0.016 0.000 1.157 172 A CA 0.683 52.690 52.037 -0.049 0.000 0.670 172 A CB -0.400 18.597 19.000 -0.004 0.000 0.804 172 A HN 0.193 nan 8.150 nan 0.000 0.453 173 L N -0.861 120.363 121.223 0.002 0.000 2.093 173 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 173 L C 2.425 179.321 176.870 0.043 0.000 1.085 173 L CA 1.058 55.918 54.840 0.035 0.000 0.755 173 L CB -0.354 41.715 42.059 0.017 0.000 0.904 173 L HN 0.290 nan 8.230 nan 0.000 0.435 174 E N -0.424 119.787 120.200 0.019 0.000 2.250 174 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 174 E C 0.269 176.900 176.600 0.053 0.000 0.986 174 E CA 0.422 56.842 56.400 0.034 0.000 0.849 174 E CB 0.036 29.745 29.700 0.015 0.000 0.797 174 E HN 0.218 nan 8.360 nan 0.000 0.482 175 N N 0.152 118.882 118.700 0.049 0.000 2.690 175 N HA 0.162 4.902 4.740 -0.000 0.000 0.255 175 N C -2.428 173.120 175.510 0.063 0.000 1.195 175 N CA -1.891 51.203 53.050 0.073 0.000 0.790 175 N CB 1.457 40.006 38.487 0.103 0.000 1.216 175 N HN -0.305 nan 8.380 nan 0.000 0.528 176 P HA -0.056 nan 4.420 nan 0.000 0.218 176 P C 0.434 177.651 177.300 -0.138 0.000 1.146 176 P CA 1.039 64.134 63.100 -0.008 0.000 0.813 176 P CB 0.218 31.954 31.700 0.060 0.000 0.778 177 c N -2.904 115.642 118.600 -0.091 0.000 2.578 177 c HA 0.112 4.682 4.570 -0.000 0.000 0.285 177 c C 2.205 176.246 174.090 -0.080 0.000 1.297 177 c CA -0.673 55.560 56.329 -0.160 0.000 1.690 177 c CB -2.613 39.824 42.510 -0.123 0.000 1.773 177 c HN 0.260 nan 8.230 nan 0.000 0.594 178 Y N 3.711 123.931 120.300 -0.132 0.000 2.114 178 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 178 Y C 2.165 178.006 175.900 -0.099 0.000 1.165 178 Y CA 2.452 60.498 58.100 -0.091 0.000 1.148 178 Y CB -0.182 38.236 38.460 -0.070 0.000 0.972 178 Y HN 0.475 nan 8.280 nan 0.000 0.504 179 D N -0.589 119.751 120.400 -0.101 0.000 2.363 179 D HA -0.138 4.502 4.640 -0.000 0.000 0.226 179 D C 1.398 177.582 176.300 -0.193 0.000 1.020 179 D CA 0.943 54.840 54.000 -0.172 0.000 0.892 179 D CB -0.639 40.127 40.800 -0.056 0.000 0.900 179 D HN 0.514 nan 8.370 nan 0.000 0.531 180 M N -0.245 119.236 119.600 -0.197 0.000 2.428 180 M HA 0.141 4.621 4.480 -0.000 0.000 0.239 180 M C 0.077 176.292 176.300 -0.141 0.000 1.121 180 M CA -0.022 55.186 55.300 -0.154 0.000 1.019 180 M CB 0.114 32.619 32.600 -0.159 0.000 1.485 180 M HN -0.172 nan 8.290 nan 0.000 0.484 181 K N 0.957 121.235 120.400 -0.203 0.000 3.160 181 K HA -0.160 4.160 4.320 -0.000 0.000 0.280 181 K C 0.164 176.704 176.600 -0.101 0.000 1.154 181 K CA 1.054 57.230 56.287 -0.186 0.000 0.822 181 K CB -2.521 29.889 32.500 -0.150 0.000 1.239 181 K HN 0.618 nan 8.250 nan 0.000 0.489 182 T N -3.763 110.745 114.554 -0.077 0.000 2.724 182 T HA 0.591 4.941 4.350 -0.000 0.000 0.274 182 T C -0.115 174.584 174.700 -0.002 0.000 0.984 182 T CA -0.665 61.423 62.100 -0.020 0.000 1.024 182 T CB 2.524 71.405 68.868 0.021 0.000 1.320 182 T HN -0.034 nan 8.240 nan 0.000 0.555 183 T N 0.677 115.252 114.554 0.035 0.000 2.886 183 T HA 0.682 5.032 4.350 -0.000 0.000 0.292 183 T C -0.376 174.371 174.700 0.079 0.000 1.012 183 T CA -0.625 61.506 62.100 0.052 0.000 0.982 183 T CB 0.451 69.350 68.868 0.051 0.000 1.018 183 T HN 1.152 nan 8.240 nan 0.000 0.451 184 c N 2.134 120.784 118.600 0.084 0.000 3.213 184 c HA 0.829 5.399 4.570 -0.000 0.000 0.319 184 c C -0.155 174.002 174.090 0.110 0.000 1.386 184 c CA -1.417 54.981 56.329 0.115 0.000 1.494 184 c CB -0.251 42.351 42.510 0.154 0.000 1.905 184 c HN 0.850 nan 8.230 nan 0.000 0.456 185 L N 1.618 122.922 121.223 0.135 0.000 2.472 185 L HA 0.410 4.750 4.340 -0.000 0.000 0.260 185 L C -2.018 174.956 176.870 0.173 0.000 1.209 185 L CA -1.204 53.727 54.840 0.151 0.000 0.817 185 L CB 0.244 42.417 42.059 0.190 0.000 1.106 185 L HN 0.469 nan 8.230 nan 0.000 0.479 186 P HA 0.060 nan 4.420 nan 0.000 0.272 186 P C -0.592 176.880 177.300 0.287 0.000 1.223 186 P CA -0.321 62.892 63.100 0.188 0.000 0.784 186 P CB 0.528 32.320 31.700 0.152 0.000 0.923 187 M N 3.432 123.168 119.600 0.227 0.000 2.242 187 M HA 0.441 4.921 4.480 -0.000 0.000 0.344 187 M C -0.960 175.527 176.300 0.311 0.000 1.140 187 M CA 0.182 55.593 55.300 0.186 0.000 1.160 187 M CB -0.133 32.547 32.600 0.134 0.000 1.491 187 M HN 0.317 nan 8.290 nan 0.000 0.459 188 F N 1.597 121.653 119.950 0.177 0.000 2.631 188 F HA 0.717 5.244 4.527 -0.000 0.000 0.308 188 F C 0.216 176.166 175.800 0.250 0.000 1.097 188 F CA -0.750 57.380 58.000 0.215 0.000 0.952 188 F CB 0.403 39.546 39.000 0.240 0.000 1.307 188 F HN 0.575 nan 8.300 nan 0.000 0.450 189 G N 0.656 109.704 108.800 0.413 0.000 2.616 189 G HA2 0.052 4.012 3.960 -0.000 0.000 0.215 189 G HA3 0.052 4.012 3.960 -0.000 0.000 0.215 189 G C -1.084 174.161 174.900 0.576 0.000 1.284 189 G CA 1.291 46.633 45.100 0.404 0.000 0.823 189 G HN 0.837 nan 8.290 nan 0.000 0.569 190 Y N 0.158 120.776 120.300 0.530 0.000 2.457 190 Y HA 0.673 5.223 4.550 0.000 0.000 0.343 190 Y C -0.795 175.324 175.900 0.364 0.000 0.994 190 Y CA -1.615 56.783 58.100 0.496 0.000 1.031 190 Y CB 1.804 40.474 38.460 0.350 0.000 1.246 190 Y HN 0.140 nan 8.280 nan 0.000 0.449 191 K N 4.507 124.642 120.400 -0.441 0.000 2.426 191 K HA 0.264 4.584 4.320 -0.000 0.000 0.254 191 K C -1.912 174.212 176.600 -0.794 0.000 0.936 191 K CA -0.887 54.945 56.287 -0.758 0.000 0.801 191 K CB 0.804 32.816 32.500 -0.813 0.000 1.139 191 K HN 0.908 nan 8.250 nan 0.000 0.424 192 H N 3.734 122.342 119.070 -0.771 0.000 2.705 192 H HA 0.214 4.770 4.556 -0.000 0.000 0.291 192 H C 0.144 175.264 175.328 -0.347 0.000 1.085 192 H CA -0.253 55.561 56.048 -0.390 0.000 1.357 192 H CB 0.747 30.393 29.762 -0.193 0.000 1.419 192 H HN 0.372 nan 8.280 nan 0.000 0.462 193 V N 4.624 124.048 119.914 -0.817 0.000 2.403 193 V HA 0.049 4.169 4.120 -0.000 0.000 0.239 193 V C 0.153 175.720 176.094 -0.878 0.000 1.041 193 V CA 0.386 62.175 62.300 -0.852 0.000 1.051 193 V CB -0.204 30.963 31.823 -1.093 0.000 0.704 193 V HN 0.527 nan 8.190 nan 0.000 0.472 194 L N 0.506 121.157 121.223 -0.955 0.000 2.372 194 L HA 0.534 4.874 4.340 -0.000 0.000 0.274 194 L C -0.040 176.746 176.870 -0.140 0.000 0.988 194 L CA 0.113 54.682 54.840 -0.452 0.000 0.833 194 L CB 1.464 43.404 42.059 -0.198 0.000 1.236 194 L HN 0.124 nan 8.230 nan 0.000 0.410 195 T N 4.819 119.368 114.554 -0.009 0.000 2.903 195 T HA 0.249 4.599 4.350 -0.000 0.000 0.314 195 T C 0.507 175.282 174.700 0.123 0.000 1.078 195 T CA -0.245 61.977 62.100 0.204 0.000 1.114 195 T CB 0.218 69.168 68.868 0.137 0.000 0.987 195 T HN 0.458 nan 8.240 nan 0.000 0.548 196 L N 2.724 123.978 121.223 0.051 0.000 2.660 196 L HA 0.191 4.531 4.340 -0.000 0.000 0.272 196 L C 0.952 177.837 176.870 0.024 0.000 1.194 196 L CA 0.404 55.253 54.840 0.015 0.000 0.945 196 L CB -0.159 41.834 42.059 -0.111 0.000 1.212 196 L HN 0.689 nan 8.230 nan 0.000 0.490 197 T N 0.120 114.698 114.554 0.041 0.000 2.868 197 T HA 0.208 4.558 4.350 -0.000 0.000 0.306 197 T C 0.385 175.096 174.700 0.018 0.000 1.224 197 T CA -0.634 61.488 62.100 0.036 0.000 1.012 197 T CB 1.460 70.361 68.868 0.055 0.000 1.221 197 T HN 0.691 nan 8.240 nan 0.000 0.499 198 D N 1.715 122.124 120.400 0.015 0.000 2.317 198 D HA -0.036 4.604 4.640 -0.000 0.000 0.211 198 D C 0.566 176.871 176.300 0.009 0.000 0.966 198 D CA 0.516 54.518 54.000 0.003 0.000 0.876 198 D CB -0.160 40.644 40.800 0.006 0.000 0.927 198 D HN 0.619 nan 8.370 nan 0.000 0.519 199 Q N 0.897 120.716 119.800 0.031 0.000 2.580 199 Q HA 0.127 4.467 4.340 -0.000 0.000 0.232 199 Q C 0.943 176.989 176.000 0.076 0.000 1.326 199 Q CA -0.333 55.498 55.803 0.047 0.000 0.887 199 Q CB 1.031 29.802 28.738 0.054 0.000 1.617 199 Q HN 0.093 nan 8.270 nan 0.000 0.554 200 V N 1.242 121.185 119.914 0.048 0.000 2.427 200 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 200 V C 2.380 178.551 176.094 0.129 0.000 1.051 200 V CA 2.356 64.696 62.300 0.067 0.000 1.048 200 V CB -0.610 31.212 31.823 -0.002 0.000 0.666 200 V HN 0.819 nan 8.190 nan 0.000 0.456 201 T N -1.192 113.408 114.554 0.076 0.000 2.833 201 T HA -0.258 4.092 4.350 -0.000 0.000 0.269 201 T C 1.954 176.694 174.700 0.067 0.000 1.054 201 T CA 1.482 63.617 62.100 0.059 0.000 1.135 201 T CB -0.322 68.565 68.868 0.031 0.000 0.869 201 T HN 0.420 nan 8.240 nan 0.000 0.466 202 R N -0.354 120.199 120.500 0.088 0.000 2.090 202 R HA 0.050 4.390 4.340 -0.000 0.000 0.228 202 R C 2.221 178.595 176.300 0.124 0.000 1.110 202 R CA 0.953 57.104 56.100 0.085 0.000 0.973 202 R CB -0.455 29.894 30.300 0.082 0.000 0.869 202 R HN 0.477 nan 8.270 nan 0.000 0.440 203 F N 2.157 122.128 119.950 0.035 0.000 2.126 203 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 203 F C 1.698 177.481 175.800 -0.028 0.000 1.096 203 F CA 1.735 59.769 58.000 0.057 0.000 1.255 203 F CB -0.241 38.786 39.000 0.045 0.000 0.997 203 F HN 0.067 nan 8.300 nan 0.000 0.479 204 N N 0.717 119.442 118.700 0.041 0.000 2.188 204 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 204 N C 1.741 177.146 175.510 -0.174 0.000 1.018 204 N CA 1.618 54.602 53.050 -0.109 0.000 0.858 204 N CB -0.485 38.004 38.487 0.004 0.000 0.989 204 N HN 0.517 nan 8.380 nan 0.000 0.426 205 E N 0.815 120.960 120.200 -0.093 0.000 2.051 205 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 205 E C 1.664 178.196 176.600 -0.114 0.000 0.991 205 E CA 0.790 57.141 56.400 -0.082 0.000 0.799 205 E CB 0.049 29.730 29.700 -0.032 0.000 0.748 205 E HN 0.320 nan 8.360 nan 0.000 0.449 206 E N 0.423 120.560 120.200 -0.106 0.000 2.077 206 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 206 E C 2.323 178.800 176.600 -0.204 0.000 0.989 206 E CA 0.740 57.112 56.400 -0.047 0.000 0.800 206 E CB -0.118 29.671 29.700 0.149 0.000 0.746 206 E HN 0.122 nan 8.360 nan 0.000 0.452 207 V N 1.538 121.108 119.914 -0.573 0.000 2.407 207 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 207 V C 2.129 177.971 176.094 -0.421 0.000 1.055 207 V CA 1.676 63.491 62.300 -0.809 0.000 1.049 207 V CB -0.343 30.868 31.823 -1.020 0.000 0.662 207 V HN 0.197 nan 8.190 nan 0.000 0.455 208 K N -0.278 119.940 120.400 -0.304 0.000 2.365 208 K HA -0.069 4.251 4.320 -0.000 0.000 0.199 208 K C 1.969 178.492 176.600 -0.128 0.000 1.045 208 K CA 0.677 56.843 56.287 -0.202 0.000 0.962 208 K CB -0.070 32.332 32.500 -0.163 0.000 0.759 208 K HN 0.411 nan 8.250 nan 0.000 0.469 209 K N 0.397 120.731 120.400 -0.111 0.000 2.418 209 K HA 0.019 4.339 4.320 -0.000 0.000 0.195 209 K C 0.328 176.905 176.600 -0.038 0.000 1.035 209 K CA 0.311 56.565 56.287 -0.055 0.000 1.003 209 K CB 0.330 32.810 32.500 -0.033 0.000 0.793 209 K HN 0.058 nan 8.250 nan 0.000 0.494 210 Q N 1.085 120.849 119.800 -0.061 0.000 2.352 210 Q HA 0.083 4.423 4.340 -0.000 0.000 0.260 210 Q C 0.112 176.104 176.000 -0.015 0.000 0.976 210 Q CA 0.232 56.021 55.803 -0.023 0.000 0.881 210 Q CB 1.585 30.296 28.738 -0.045 0.000 1.235 210 Q HN 0.168 nan 8.270 nan 0.000 0.419 211 S N -0.904 114.811 115.700 0.024 0.000 2.697 211 S HA 0.709 5.179 4.470 -0.000 0.000 0.289 211 S C -0.167 174.473 174.600 0.066 0.000 1.149 211 S CA -0.879 57.340 58.200 0.033 0.000 0.850 211 S CB 1.017 64.242 63.200 0.042 0.000 1.151 211 S HN 0.429 nan 8.310 nan 0.000 0.491 212 V N -0.657 119.295 119.914 0.062 0.000 2.785 212 V HA 0.804 4.924 4.120 -0.000 0.000 0.300 212 V C 0.474 176.655 176.094 0.145 0.000 1.062 212 V CA -0.246 62.100 62.300 0.077 0.000 1.029 212 V CB 1.018 32.864 31.823 0.038 0.000 1.024 212 V HN 1.035 nan 8.190 nan 0.000 0.477 213 S N 1.950 117.733 115.700 0.138 0.000 2.618 213 S HA 0.708 5.178 4.470 -0.000 0.000 0.284 213 S C -0.224 174.483 174.600 0.179 0.000 1.102 213 S CA -0.941 57.350 58.200 0.152 0.000 0.984 213 S CB 1.197 64.460 63.200 0.105 0.000 1.280 213 S HN 1.063 nan 8.310 nan 0.000 0.525 214 R N 0.746 121.333 120.500 0.144 0.000 2.536 214 R HA 0.355 4.695 4.340 -0.000 0.000 0.269 214 R C -1.605 174.823 176.300 0.214 0.000 1.113 214 R CA -0.347 55.855 56.100 0.169 0.000 0.948 214 R CB 0.973 31.290 30.300 0.027 0.000 1.237 214 R HN 0.986 nan 8.270 nan 0.000 0.441 215 N N 0.706 119.546 118.700 0.233 0.000 3.038 215 N HA 0.356 5.096 4.740 -0.000 0.000 0.307 215 N C 0.160 175.790 175.510 0.200 0.000 1.441 215 N CA -1.003 52.178 53.050 0.219 0.000 0.772 215 N CB 1.708 40.283 38.487 0.147 0.000 1.651 215 N HN 0.470 nan 8.380 nan 0.000 0.593 216 R N -0.820 119.661 120.500 -0.032 0.000 2.075 216 R HA 0.022 4.362 4.340 -0.000 0.000 0.220 216 R C -0.557 175.777 176.300 0.057 0.000 1.118 216 R CA 0.909 56.936 56.100 -0.121 0.000 0.986 216 R CB -0.212 29.847 30.300 -0.402 0.000 0.884 216 R HN 0.840 nan 8.270 nan 0.000 0.439 217 D N -0.720 119.749 120.400 0.114 0.000 2.163 217 D HA 0.149 4.789 4.640 -0.000 0.000 0.248 217 D C 0.388 176.739 176.300 0.085 0.000 1.035 217 D CA -0.023 54.054 54.000 0.128 0.000 0.872 217 D CB 1.835 42.772 40.800 0.229 0.000 1.183 217 D HN 0.133 nan 8.370 nan 0.000 0.445 218 A N 2.787 125.633 122.820 0.042 0.000 1.908 218 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 218 A C -1.397 176.155 177.584 -0.054 0.000 1.181 218 A CA 0.758 52.804 52.037 0.015 0.000 0.627 218 A CB -1.670 17.337 19.000 0.011 0.000 0.818 218 A HN 0.567 nan 8.150 nan 0.000 0.445 219 P HA 0.222 nan 4.420 nan 0.000 0.268 219 P C -0.158 176.902 177.300 -0.401 0.000 1.205 219 P CA 0.342 63.180 63.100 -0.437 0.000 0.771 219 P CB 0.649 31.821 31.700 -0.880 0.000 0.858 220 E N 1.012 121.075 120.200 -0.228 0.000 2.370 220 E HA 0.459 4.809 4.350 -0.000 0.000 0.259 220 E C 0.638 177.288 176.600 0.084 0.000 0.947 220 E CA -0.922 55.509 56.400 0.053 0.000 0.809 220 E CB 0.918 30.766 29.700 0.246 0.000 1.300 220 E HN 0.421 nan 8.360 nan 0.000 0.419 221 G N -0.242 108.702 108.800 0.241 0.000 3.814 221 G HA2 0.238 4.198 3.960 -0.000 0.000 0.293 221 G HA3 0.238 4.198 3.960 -0.000 0.000 0.293 221 G C 0.866 175.783 174.900 0.028 0.000 1.243 221 G CA 0.181 45.445 45.100 0.274 0.000 1.053 221 G HN 0.447 nan 8.290 nan 0.000 0.562 222 G N 0.515 109.145 108.800 -0.284 0.000 2.443 222 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 222 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 222 G C 1.297 176.156 174.900 -0.069 0.000 1.131 222 G CA 0.421 45.035 45.100 -0.810 0.000 0.775 222 G HN 0.355 nan 8.290 nan 0.000 0.547 223 F N 1.512 121.343 119.950 -0.199 0.000 2.325 223 F HA 0.084 4.611 4.527 -0.000 0.000 0.299 223 F C 2.161 177.877 175.800 -0.140 0.000 1.090 223 F CA 0.028 57.915 58.000 -0.188 0.000 1.392 223 F CB -0.381 38.544 39.000 -0.125 0.000 1.053 223 F HN 0.087 nan 8.300 nan 0.000 0.521 224 D N 0.168 120.644 120.400 0.126 0.000 2.104 224 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 224 D C 2.398 178.521 176.300 -0.295 0.000 0.994 224 D CA 1.524 55.492 54.000 -0.053 0.000 0.830 224 D CB -0.458 40.406 40.800 0.106 0.000 0.959 224 D HN 0.190 nan 8.370 nan 0.000 0.452 225 A N 0.513 123.177 122.820 -0.261 0.000 1.902 225 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 225 A C 2.397 179.728 177.584 -0.422 0.000 1.181 225 A CA 0.868 52.590 52.037 -0.525 0.000 0.623 225 A CB -0.688 18.194 19.000 -0.196 0.000 0.818 225 A HN 0.205 nan 8.150 nan 0.000 0.443 226 I N -1.336 119.096 120.570 -0.231 0.000 2.226 226 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 226 I C 2.638 178.617 176.117 -0.229 0.000 1.100 226 I CA 1.806 62.981 61.300 -0.209 0.000 1.374 226 I CB -0.232 37.551 38.000 -0.361 0.000 1.057 226 I HN 0.409 nan 8.210 nan 0.000 0.413 227 M N 0.423 119.872 119.600 -0.250 0.000 2.086 227 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 227 M C 2.214 178.383 176.300 -0.219 0.000 1.067 227 M CA 1.872 57.043 55.300 -0.214 0.000 1.116 227 M CB -0.447 32.047 32.600 -0.177 0.000 1.348 227 M HN 0.072 nan 8.290 nan 0.000 0.407 228 Q N -0.271 119.331 119.800 -0.330 0.000 2.123 228 Q HA 0.086 4.426 4.340 -0.000 0.000 0.199 228 Q C 2.202 178.087 176.000 -0.192 0.000 0.966 228 Q CA 1.694 57.328 55.803 -0.281 0.000 0.845 228 Q CB -0.908 27.599 28.738 -0.384 0.000 0.907 228 Q HN 0.672 nan 8.270 nan 0.000 0.439 229 A N 0.267 122.944 122.820 -0.239 0.000 2.067 229 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 229 A C 2.191 179.826 177.584 0.085 0.000 1.158 229 A CA 1.685 53.669 52.037 -0.089 0.000 0.661 229 A CB -0.413 18.635 19.000 0.080 0.000 0.801 229 A HN 0.326 nan 8.150 nan 0.000 0.452 230 T N -0.673 113.870 114.554 -0.018 0.000 2.852 230 T HA -0.026 4.324 4.350 -0.000 0.000 0.256 230 T C 1.827 176.492 174.700 -0.058 0.000 1.038 230 T CA 1.754 63.814 62.100 -0.066 0.000 1.141 230 T CB -0.255 68.524 68.868 -0.149 0.000 0.869 230 T HN 0.588 nan 8.240 nan 0.000 0.439 231 V N -1.498 118.378 119.914 -0.063 0.000 3.590 231 V HA 0.285 4.405 4.120 -0.000 0.000 0.265 231 V C 0.947 177.017 176.094 -0.040 0.000 1.239 231 V CA -0.322 61.941 62.300 -0.062 0.000 1.117 231 V CB -0.962 30.819 31.823 -0.071 0.000 0.818 231 V HN 0.329 nan 8.190 nan 0.000 0.451 232 c N 2.751 121.331 118.600 -0.032 0.000 2.484 232 c HA 0.362 4.932 4.570 -0.000 0.000 0.494 232 c C 1.531 175.592 174.090 -0.048 0.000 1.052 232 c CA -0.511 55.787 56.329 -0.051 0.000 1.307 232 c CB -1.672 40.795 42.510 -0.072 0.000 1.464 232 c HN 0.534 nan 8.230 nan 0.000 0.564 233 D N 1.105 121.507 120.400 0.003 0.000 2.087 233 D HA -0.172 4.468 4.640 -0.000 0.000 0.192 233 D C 2.000 178.275 176.300 -0.041 0.000 0.993 233 D CA 1.448 55.484 54.000 0.059 0.000 0.828 233 D CB -0.048 40.775 40.800 0.038 0.000 0.968 233 D HN 0.675 nan 8.370 nan 0.000 0.448 234 E N -0.005 120.162 120.200 -0.056 0.000 2.106 234 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 234 E C 1.796 178.326 176.600 -0.117 0.000 0.984 234 E CA 0.703 57.064 56.400 -0.066 0.000 0.806 234 E CB 0.288 29.964 29.700 -0.040 0.000 0.750 234 E HN 0.007 nan 8.360 nan 0.000 0.458 235 K N 0.620 120.923 120.400 -0.162 0.000 1.984 235 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 235 K C 2.118 178.455 176.600 -0.438 0.000 1.046 235 K CA 0.765 56.906 56.287 -0.244 0.000 0.934 235 K CB -0.367 31.974 32.500 -0.264 0.000 0.717 235 K HN 0.220 nan 8.250 nan 0.000 0.438 236 I N 0.069 120.286 120.570 -0.589 0.000 2.252 236 I HA -0.111 4.059 4.170 -0.000 0.000 0.245 236 I C 1.202 176.924 176.117 -0.658 0.000 1.102 236 I CA 1.512 62.305 61.300 -0.846 0.000 1.385 236 I CB -1.322 35.972 38.000 -1.176 0.000 1.064 236 I HN 0.453 nan 8.210 nan 0.000 0.414 237 G N 0.493 108.999 108.800 -0.490 0.000 2.203 237 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.231 237 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.231 237 G C -0.327 174.431 174.900 -0.236 0.000 1.058 237 G CA -0.401 44.537 45.100 -0.269 0.000 0.781 237 G HN 0.303 nan 8.290 nan 0.000 0.496 238 W N 0.024 121.246 121.300 -0.130 0.000 2.193 238 W HA 0.553 5.213 4.660 0.000 0.000 0.338 238 W C 1.238 177.735 176.519 -0.037 0.000 1.310 238 W CA -0.568 56.685 57.345 -0.154 0.000 1.243 238 W CB 0.505 29.689 29.460 -0.460 0.000 1.165 238 W HN 0.171 nan 8.180 nan 0.000 0.566 239 R N 2.343 123.065 120.500 0.369 0.000 2.312 239 R HA 0.146 4.486 4.340 -0.000 0.000 0.311 239 R C 0.828 177.323 176.300 0.325 0.000 1.004 239 R CA -0.869 55.391 56.100 0.267 0.000 0.902 239 R CB 0.841 31.262 30.300 0.202 0.000 1.073 239 R HN 0.477 nan 8.270 nan 0.000 0.457 240 N N 2.127 120.938 118.700 0.184 0.000 2.061 240 N HA -0.222 4.518 4.740 -0.000 0.000 0.193 240 N C 1.066 176.645 175.510 0.115 0.000 1.030 240 N CA 1.923 55.060 53.050 0.144 0.000 0.856 240 N CB -0.105 38.429 38.487 0.078 0.000 1.023 240 N HN 0.670 nan 8.380 nan 0.000 0.424 241 D N -0.194 120.252 120.400 0.076 0.000 2.277 241 D HA 0.034 4.674 4.640 -0.000 0.000 0.208 241 D C 0.639 176.913 176.300 -0.043 0.000 0.962 241 D CA 0.240 54.250 54.000 0.016 0.000 0.865 241 D CB -0.419 40.395 40.800 0.023 0.000 0.939 241 D HN 0.176 nan 8.370 nan 0.000 0.510 242 A N 0.425 123.235 122.820 -0.017 0.000 2.346 242 A HA 0.375 4.695 4.320 -0.000 0.000 0.252 242 A C 0.262 177.569 177.584 -0.462 0.000 1.089 242 A CA -0.249 51.727 52.037 -0.102 0.000 0.797 242 A CB 0.580 19.626 19.000 0.076 0.000 1.047 242 A HN 0.138 nan 8.150 nan 0.000 0.494 243 S N -0.327 115.170 115.700 -0.339 0.000 2.457 243 S HA 0.457 4.927 4.470 -0.000 0.000 0.289 243 S C -0.643 173.788 174.600 -0.282 0.000 1.163 243 S CA -0.516 57.441 58.200 -0.405 0.000 1.078 243 S CB -0.232 62.838 63.200 -0.217 0.000 0.987 243 S HN 0.662 nan 8.310 nan 0.000 0.482 244 H N 4.041 123.077 119.070 -0.056 0.000 2.504 244 H HA 0.486 5.042 4.556 -0.000 0.000 0.322 244 H C -0.586 174.701 175.328 -0.069 0.000 1.055 244 H CA -0.704 55.296 56.048 -0.081 0.000 1.231 244 H CB 0.898 30.340 29.762 -0.535 0.000 1.417 244 H HN 0.381 nan 8.280 nan 0.000 0.472 245 L N 4.018 125.378 121.223 0.227 0.000 2.322 245 L HA 0.311 4.651 4.340 -0.000 0.000 0.281 245 L C -0.899 176.157 176.870 0.310 0.000 1.014 245 L CA -0.988 53.960 54.840 0.180 0.000 0.815 245 L CB 1.654 43.809 42.059 0.160 0.000 1.247 245 L HN 0.385 nan 8.230 nan 0.000 0.421 246 L N 5.018 126.370 121.223 0.216 0.000 2.324 246 L HA 0.470 4.810 4.340 -0.000 0.000 0.274 246 L C -0.641 176.370 176.870 0.235 0.000 1.012 246 L CA -0.248 54.780 54.840 0.314 0.000 0.859 246 L CB 1.510 43.700 42.059 0.219 0.000 1.224 246 L HN 0.248 nan 8.230 nan 0.000 0.429 247 V N 5.792 125.899 119.914 0.321 0.000 2.383 247 V HA 0.355 4.475 4.120 -0.000 0.000 0.275 247 V C -0.449 175.871 176.094 0.376 0.000 1.036 247 V CA -0.353 62.139 62.300 0.319 0.000 0.889 247 V CB 1.055 33.088 31.823 0.350 0.000 0.985 247 V HN 0.615 nan 8.190 nan 0.000 0.459 248 F N 5.051 125.084 119.950 0.139 0.000 2.449 248 F HA 0.672 5.199 4.527 -0.000 0.000 0.342 248 F C 0.352 176.249 175.800 0.161 0.000 1.127 248 F CA -0.291 57.795 58.000 0.144 0.000 0.975 248 F CB 1.699 40.760 39.000 0.101 0.000 1.146 248 F HN 0.563 nan 8.300 nan 0.000 0.444 249 T N 2.247 116.553 114.554 -0.415 0.000 2.823 249 T HA 0.730 5.080 4.350 -0.000 0.000 0.279 249 T C -0.452 173.969 174.700 -0.466 0.000 0.998 249 T CA -0.629 61.281 62.100 -0.316 0.000 0.994 249 T CB 1.728 70.459 68.868 -0.228 0.000 0.960 249 T HN 0.795 nan 8.240 nan 0.000 0.448 250 T N 0.639 115.039 114.554 -0.257 0.000 2.830 250 T HA 0.402 4.752 4.350 -0.000 0.000 0.322 250 T C -1.257 173.415 174.700 -0.047 0.000 1.501 250 T CA -0.466 61.551 62.100 -0.138 0.000 1.036 250 T CB 1.690 70.550 68.868 -0.012 0.000 1.379 250 T HN 0.802 nan 8.240 nan 0.000 0.493 251 D N 0.790 121.191 120.400 0.002 0.000 2.479 251 D HA 0.520 5.160 4.640 -0.000 0.000 0.218 251 D C 0.192 176.539 176.300 0.078 0.000 1.177 251 D CA -0.149 53.870 54.000 0.033 0.000 0.830 251 D CB 0.453 41.258 40.800 0.008 0.000 1.014 251 D HN 0.679 nan 8.370 nan 0.000 0.503 252 A N 0.418 123.315 122.820 0.127 0.000 2.593 252 A HA 0.549 4.869 4.320 -0.000 0.000 0.290 252 A C -0.129 177.587 177.584 0.220 0.000 1.126 252 A CA -0.945 51.170 52.037 0.131 0.000 0.695 252 A CB 1.739 20.785 19.000 0.077 0.000 1.290 252 A HN 0.116 nan 8.150 nan 0.000 0.414 253 K N -0.280 120.181 120.400 0.101 0.000 2.143 253 K HA 0.485 4.805 4.320 -0.000 0.000 0.239 253 K C -0.251 176.317 176.600 -0.053 0.000 1.048 253 K CA 0.193 56.492 56.287 0.020 0.000 0.867 253 K CB 0.375 32.825 32.500 -0.084 0.000 1.088 253 K HN 0.579 nan 8.250 nan 0.000 0.510 254 T N -0.699 113.718 114.554 -0.228 0.000 2.906 254 T HA 0.213 4.563 4.350 -0.000 0.000 0.295 254 T C -1.225 173.096 174.700 -0.631 0.000 1.075 254 T CA -0.746 61.086 62.100 -0.447 0.000 1.005 254 T CB 0.844 69.268 68.868 -0.739 0.000 1.136 254 T HN 0.520 nan 8.240 nan 0.000 0.498 255 H N 3.029 121.708 119.070 -0.652 0.000 2.610 255 H HA 0.503 5.059 4.556 -0.000 0.000 0.336 255 H C 0.388 175.236 175.328 -0.799 0.000 1.087 255 H CA -0.094 55.448 56.048 -0.844 0.000 1.405 255 H CB 0.611 29.443 29.762 -1.550 0.000 1.460 255 H HN 0.599 nan 8.280 nan 0.000 0.538 256 I N -0.753 119.604 120.570 -0.355 0.000 3.067 256 I HA 0.676 4.846 4.170 -0.000 0.000 0.312 256 I C 0.196 176.333 176.117 0.034 0.000 1.073 256 I CA -1.611 59.613 61.300 -0.126 0.000 1.016 256 I CB 1.483 39.434 38.000 -0.081 0.000 1.227 256 I HN 0.444 nan 8.210 nan 0.000 0.456 257 A N 2.904 125.801 122.820 0.127 0.000 2.565 257 A HA 0.381 4.701 4.320 -0.000 0.000 0.237 257 A C 0.789 178.447 177.584 0.124 0.000 1.053 257 A CA 0.360 52.492 52.037 0.159 0.000 0.755 257 A CB -0.405 18.666 19.000 0.118 0.000 0.980 257 A HN 1.087 nan 8.150 nan 0.000 0.506 258 L N -0.099 121.210 121.223 0.144 0.000 4.383 258 L HA -0.255 4.085 4.340 -0.000 0.000 0.402 258 L C 0.888 177.832 176.870 0.123 0.000 0.803 258 L CA 0.947 55.853 54.840 0.110 0.000 2.175 258 L CB -1.547 40.557 42.059 0.075 0.000 1.434 258 L HN 0.711 nan 8.230 nan 0.000 0.591 259 D N 0.735 121.228 120.400 0.154 0.000 2.178 259 D HA -0.045 4.595 4.640 -0.000 0.000 0.202 259 D C 1.985 178.427 176.300 0.236 0.000 0.974 259 D CA 1.537 55.626 54.000 0.148 0.000 0.841 259 D CB -0.200 40.611 40.800 0.018 0.000 0.953 259 D HN 0.552 nan 8.370 nan 0.000 0.478 260 G N 0.437 109.436 108.800 0.332 0.000 2.501 260 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 260 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 260 G C 1.596 176.570 174.900 0.122 0.000 1.114 260 G CA 0.333 45.575 45.100 0.236 0.000 0.757 260 G HN 0.235 nan 8.290 nan 0.000 0.559 261 R N -0.632 119.926 120.500 0.096 0.000 2.189 261 R HA 0.060 4.400 4.340 -0.000 0.000 0.223 261 R C 1.987 178.300 176.300 0.022 0.000 1.092 261 R CA 0.470 56.598 56.100 0.047 0.000 0.989 261 R CB -0.202 30.123 30.300 0.042 0.000 0.876 261 R HN 0.336 nan 8.270 nan 0.000 0.457 262 L N -0.215 121.029 121.223 0.035 0.000 2.362 262 L HA -0.031 4.309 4.340 -0.000 0.000 0.219 262 L C 1.805 178.594 176.870 -0.135 0.000 1.134 262 L CA 1.403 56.222 54.840 -0.035 0.000 0.807 262 L CB -0.050 41.999 42.059 -0.018 0.000 0.927 262 L HN 0.178 nan 8.230 nan 0.000 0.447 263 A N -1.499 121.261 122.820 -0.100 0.000 2.430 263 A HA 0.522 4.842 4.320 -0.000 0.000 0.243 263 A C 1.672 179.216 177.584 -0.066 0.000 1.254 263 A CA 0.447 52.400 52.037 -0.141 0.000 0.914 263 A CB -0.323 18.636 19.000 -0.069 0.000 0.998 263 A HN 0.402 nan 8.150 nan 0.000 0.515 264 G N -0.396 108.378 108.800 -0.042 0.000 2.162 264 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 264 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 264 G C 0.085 174.972 174.900 -0.020 0.000 0.976 264 G CA 0.396 45.478 45.100 -0.029 0.000 0.655 264 G HN 0.511 nan 8.290 nan 0.000 0.533 265 I N 1.280 121.843 120.570 -0.013 0.000 2.325 265 I HA 0.393 4.563 4.170 -0.000 0.000 0.291 265 I C 1.546 177.661 176.117 -0.003 0.000 1.019 265 I CA -0.259 61.029 61.300 -0.020 0.000 1.302 265 I CB 1.501 39.477 38.000 -0.040 0.000 1.401 265 I HN 0.117 nan 8.210 nan 0.000 0.485 266 V N 1.524 121.434 119.914 -0.006 0.000 3.562 266 V HA 0.160 4.280 4.120 -0.000 0.000 0.270 266 V C 0.791 176.888 176.094 0.005 0.000 1.418 266 V CA -0.163 62.141 62.300 0.006 0.000 1.033 266 V CB -0.203 31.623 31.823 0.006 0.000 0.820 266 V HN 0.790 nan 8.190 nan 0.000 0.441 267 Q N 2.584 122.379 119.800 -0.007 0.000 2.255 267 Q HA 0.213 4.553 4.340 -0.000 0.000 0.280 267 Q C -2.315 173.688 176.000 0.005 0.000 1.068 267 Q CA -1.451 54.349 55.803 -0.006 0.000 0.911 267 Q CB 0.838 29.564 28.738 -0.021 0.000 1.157 267 Q HN 0.358 nan 8.270 nan 0.000 0.380 268 P HA -0.070 nan 4.420 nan 0.000 0.269 268 P C -0.667 176.656 177.300 0.037 0.000 1.215 268 P CA -0.168 62.951 63.100 0.031 0.000 0.780 268 P CB 0.461 32.180 31.700 0.031 0.000 0.898 269 N N 2.472 121.203 118.700 0.052 0.000 2.440 269 N HA -0.064 4.676 4.740 -0.000 0.000 0.265 269 N C 0.543 176.096 175.510 0.071 0.000 1.239 269 N CA 0.211 53.303 53.050 0.070 0.000 0.909 269 N CB 0.328 38.862 38.487 0.079 0.000 1.066 269 N HN 0.382 nan 8.380 nan 0.000 0.474 270 D N 2.583 123.043 120.400 0.100 0.000 2.349 270 D HA 0.055 4.695 4.640 -0.000 0.000 0.224 270 D C 1.160 177.512 176.300 0.087 0.000 1.029 270 D CA 0.658 54.717 54.000 0.099 0.000 0.879 270 D CB -0.338 40.545 40.800 0.138 0.000 0.906 270 D HN 0.696 nan 8.370 nan 0.000 0.528 271 G N -0.064 108.788 108.800 0.086 0.000 2.168 271 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.263 271 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.263 271 G C 0.125 175.039 174.900 0.024 0.000 0.977 271 G CA 0.472 45.594 45.100 0.037 0.000 0.659 271 G HN 0.507 nan 8.290 nan 0.000 0.533 272 Q N -1.082 118.756 119.800 0.062 0.000 2.180 272 Q HA 0.570 4.910 4.340 -0.000 0.000 0.241 272 Q C 0.497 176.425 176.000 -0.120 0.000 0.970 272 Q CA -0.420 55.350 55.803 -0.054 0.000 0.919 272 Q CB 1.823 30.495 28.738 -0.110 0.000 1.222 272 Q HN 0.432 nan 8.270 nan 0.000 0.482 273 c N 1.490 119.959 118.600 -0.218 0.000 2.514 273 c HA 0.232 4.802 4.570 -0.000 0.000 0.392 273 c C 0.055 173.950 174.090 -0.325 0.000 1.294 273 c CA -0.093 56.142 56.329 -0.157 0.000 1.957 273 c CB -0.683 41.770 42.510 -0.095 0.000 2.541 273 c HN 0.789 nan 8.230 nan 0.000 0.569 274 H N 3.806 122.994 119.070 0.196 0.000 2.750 274 H HA 0.156 4.712 4.556 -0.000 0.000 0.239 274 H C 0.996 176.491 175.328 0.279 0.000 1.210 274 H CA 0.048 56.238 56.048 0.236 0.000 0.936 274 H CB 0.294 30.235 29.762 0.299 0.000 2.074 274 H HN 0.545 nan 8.280 nan 0.000 0.622 275 V N -0.141 119.946 119.914 0.289 0.000 2.300 275 V HA 0.152 4.272 4.120 -0.000 0.000 0.233 275 V C 1.830 178.022 176.094 0.163 0.000 1.052 275 V CA 1.485 63.937 62.300 0.253 0.000 1.026 275 V CB -0.474 31.463 31.823 0.191 0.000 0.661 275 V HN 0.739 nan 8.190 nan 0.000 0.470 276 G N -0.177 108.682 108.800 0.098 0.000 2.509 276 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.259 276 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.259 276 G C 1.110 176.050 174.900 0.067 0.000 1.169 276 G CA 0.786 45.928 45.100 0.070 0.000 0.953 276 G HN 0.584 nan 8.290 nan 0.000 0.563 277 S N 0.452 116.189 115.700 0.061 0.000 2.345 277 S HA -0.121 4.349 4.470 -0.000 0.000 0.220 277 S C 1.925 176.561 174.600 0.060 0.000 1.031 277 S CA 2.234 60.463 58.200 0.048 0.000 0.996 277 S CB -0.467 62.755 63.200 0.036 0.000 0.882 277 S HN 1.019 nan 8.310 nan 0.000 0.445 278 D N 0.419 120.868 120.400 0.081 0.000 2.336 278 D HA 0.033 4.673 4.640 -0.000 0.000 0.229 278 D C 0.084 176.496 176.300 0.187 0.000 1.061 278 D CA 0.187 54.254 54.000 0.112 0.000 0.875 278 D CB -0.868 39.984 40.800 0.086 0.000 0.904 278 D HN 0.361 nan 8.370 nan 0.000 0.525 279 N N -0.111 118.661 118.700 0.119 0.000 2.741 279 N HA -0.201 4.539 4.740 -0.000 0.000 0.251 279 N C -1.093 174.367 175.510 -0.083 0.000 1.112 279 N CA 0.736 53.810 53.050 0.040 0.000 0.750 279 N CB -2.026 36.437 38.487 -0.041 0.000 1.119 279 N HN 0.552 nan 8.380 nan 0.000 0.561 280 H N -0.852 118.233 119.070 0.025 0.000 2.524 280 H HA 0.316 4.872 4.556 -0.000 0.000 0.353 280 H C -0.325 175.128 175.328 0.208 0.000 1.136 280 H CA -0.598 55.491 56.048 0.069 0.000 1.193 280 H CB 0.663 30.459 29.762 0.056 0.000 1.558 280 H HN 0.079 nan 8.280 nan 0.000 0.515 281 Y N 2.764 123.214 120.300 0.251 0.000 2.730 281 Y HA 0.010 4.560 4.550 -0.000 0.000 0.354 281 Y C 1.102 177.134 175.900 0.219 0.000 1.139 281 Y CA -0.487 57.786 58.100 0.290 0.000 1.516 281 Y CB 0.058 38.749 38.460 0.385 0.000 1.204 281 Y HN 0.713 nan 8.280 nan 0.000 0.520 282 S N 3.315 119.052 115.700 0.060 0.000 2.461 282 S HA -0.005 4.465 4.470 -0.000 0.000 0.228 282 S C 1.689 176.106 174.600 -0.305 0.000 1.005 282 S CA 0.402 58.562 58.200 -0.067 0.000 0.942 282 S CB -0.180 63.039 63.200 0.032 0.000 0.776 282 S HN 0.690 nan 8.310 nan 0.000 0.514 283 A N 1.140 123.562 122.820 -0.663 0.000 2.278 283 A HA 0.411 4.731 4.320 -0.000 0.000 0.212 283 A C 1.994 179.062 177.584 -0.860 0.000 1.213 283 A CA 0.587 52.184 52.037 -0.734 0.000 0.840 283 A CB -0.797 17.752 19.000 -0.752 0.000 0.866 283 A HN 0.483 nan 8.150 nan 0.000 0.489 284 S N 0.490 115.609 115.700 -0.969 0.000 2.387 284 S HA -0.181 4.289 4.470 -0.000 0.000 0.230 284 S C 2.063 176.531 174.600 -0.220 0.000 1.035 284 S CA 2.543 60.468 58.200 -0.459 0.000 1.014 284 S CB -0.330 62.815 63.200 -0.092 0.000 0.836 284 S HN 0.812 nan 8.310 nan 0.000 0.466 285 T N -2.157 112.286 114.554 -0.185 0.000 3.060 285 T HA 0.127 4.477 4.350 -0.000 0.000 0.249 285 T C 1.430 176.061 174.700 -0.114 0.000 1.079 285 T CA 0.976 63.015 62.100 -0.102 0.000 1.013 285 T CB 0.021 68.855 68.868 -0.058 0.000 0.975 285 T HN 0.511 nan 8.240 nan 0.000 0.518 286 T N -1.626 112.830 114.554 -0.163 0.000 2.975 286 T HA 0.481 4.831 4.350 -0.000 0.000 0.257 286 T C 0.147 174.768 174.700 -0.132 0.000 1.003 286 T CA -0.547 61.472 62.100 -0.135 0.000 0.932 286 T CB 0.024 68.808 68.868 -0.141 0.000 1.087 286 T HN 0.369 nan 8.240 nan 0.000 0.512 287 M N 1.985 121.489 119.600 -0.160 0.000 2.464 287 M HA 0.494 4.974 4.480 -0.000 0.000 0.308 287 M C -1.634 174.600 176.300 -0.110 0.000 1.127 287 M CA -0.760 54.473 55.300 -0.112 0.000 0.913 287 M CB 2.204 34.739 32.600 -0.108 0.000 1.689 287 M HN -0.107 nan 8.290 nan 0.000 0.445 288 D N 1.922 122.283 120.400 -0.065 0.000 2.360 288 D HA 0.139 4.779 4.640 -0.000 0.000 0.242 288 D C -1.073 175.196 176.300 -0.051 0.000 1.184 288 D CA 0.411 54.366 54.000 -0.074 0.000 0.930 288 D CB 0.560 41.377 40.800 0.028 0.000 1.161 288 D HN 0.408 nan 8.370 nan 0.000 0.447 289 Y N 0.977 121.312 120.300 0.059 0.000 2.683 289 Y HA 0.137 4.687 4.550 -0.000 0.000 0.340 289 Y C -1.281 174.664 175.900 0.075 0.000 1.245 289 Y CA -1.016 57.128 58.100 0.073 0.000 1.485 289 Y CB -0.255 38.235 38.460 0.051 0.000 1.328 289 Y HN 0.229 nan 8.280 nan 0.000 0.603 290 P HA 0.091 nan 4.420 nan 0.000 0.278 290 P C -0.756 176.626 177.300 0.137 0.000 1.238 290 P CA -0.547 62.633 63.100 0.133 0.000 0.794 290 P CB 1.233 32.970 31.700 0.062 0.000 0.955 291 S N 1.866 117.614 115.700 0.080 0.000 2.632 291 S HA 0.215 4.685 4.470 -0.000 0.000 0.267 291 S C 1.625 176.234 174.600 0.015 0.000 1.276 291 S CA -0.723 57.514 58.200 0.062 0.000 0.998 291 S CB 0.093 63.321 63.200 0.046 0.000 0.953 291 S HN 0.349 nan 8.310 nan 0.000 0.547 292 L N 1.317 122.547 121.223 0.012 0.000 2.042 292 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 292 L C 2.852 179.694 176.870 -0.047 0.000 1.076 292 L CA 1.634 56.451 54.840 -0.038 0.000 0.749 292 L CB -1.351 40.713 42.059 0.009 0.000 0.893 292 L HN 0.996 nan 8.230 nan 0.000 0.432 293 G N 0.034 108.823 108.800 -0.017 0.000 2.418 293 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 293 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 293 G C 1.568 176.446 174.900 -0.036 0.000 1.158 293 G CA 0.702 45.790 45.100 -0.021 0.000 0.771 293 G HN 0.205 nan 8.290 nan 0.000 0.545 294 L N 0.364 121.568 121.223 -0.032 0.000 2.046 294 L HA 0.097 4.437 4.340 -0.000 0.000 0.208 294 L C 2.909 179.735 176.870 -0.073 0.000 1.077 294 L CA 1.550 56.367 54.840 -0.038 0.000 0.747 294 L CB -0.347 41.702 42.059 -0.017 0.000 0.896 294 L HN 0.247 nan 8.230 nan 0.000 0.432 295 M N -1.582 117.954 119.600 -0.106 0.000 2.080 295 M HA -0.222 4.258 4.480 -0.000 0.000 0.260 295 M C 2.036 178.246 176.300 -0.149 0.000 1.068 295 M CA 2.372 57.571 55.300 -0.168 0.000 1.109 295 M CB -0.783 31.653 32.600 -0.273 0.000 1.342 295 M HN 0.239 nan 8.290 nan 0.000 0.405 296 T N -0.190 114.293 114.554 -0.118 0.000 2.684 296 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 296 T C 1.625 176.273 174.700 -0.086 0.000 1.036 296 T CA 1.704 63.746 62.100 -0.096 0.000 1.148 296 T CB -0.361 68.469 68.868 -0.063 0.000 0.863 296 T HN 0.496 nan 8.240 nan 0.000 0.436 297 E N 0.748 120.905 120.200 -0.072 0.000 2.049 297 E HA -0.229 4.121 4.350 -0.000 0.000 0.198 297 E C 2.097 178.649 176.600 -0.079 0.000 1.007 297 E CA 1.120 57.482 56.400 -0.064 0.000 0.809 297 E CB 0.085 29.756 29.700 -0.049 0.000 0.749 297 E HN 0.197 nan 8.360 nan 0.000 0.450 298 K N 0.269 120.613 120.400 -0.093 0.000 2.103 298 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 298 K C 2.340 178.857 176.600 -0.139 0.000 1.052 298 K CA 0.554 56.777 56.287 -0.108 0.000 0.945 298 K CB -0.352 32.084 32.500 -0.108 0.000 0.722 298 K HN 0.271 nan 8.250 nan 0.000 0.443 299 L N 0.767 121.899 121.223 -0.152 0.000 2.042 299 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 299 L C 2.665 179.444 176.870 -0.152 0.000 1.076 299 L CA 1.185 55.920 54.840 -0.175 0.000 0.749 299 L CB -0.455 41.499 42.059 -0.175 0.000 0.893 299 L HN 0.142 nan 8.230 nan 0.000 0.432 300 S N -0.884 114.746 115.700 -0.118 0.000 2.357 300 S HA -0.243 4.227 4.470 -0.000 0.000 0.221 300 S C 1.986 176.530 174.600 -0.094 0.000 1.031 300 S CA 1.371 59.513 58.200 -0.097 0.000 0.982 300 S CB -0.095 63.059 63.200 -0.075 0.000 0.853 300 S HN 0.436 nan 8.310 nan 0.000 0.458 301 Q N -0.003 119.741 119.800 -0.093 0.000 2.096 301 Q HA -0.089 4.251 4.340 -0.000 0.000 0.204 301 Q C 1.070 177.009 176.000 -0.102 0.000 0.982 301 Q CA 1.170 56.922 55.803 -0.085 0.000 0.850 301 Q CB 0.016 28.708 28.738 -0.077 0.000 0.901 301 Q HN 0.252 nan 8.270 nan 0.000 0.422 302 K N 0.552 120.866 120.400 -0.144 0.000 2.387 302 K HA 0.049 4.369 4.320 -0.000 0.000 0.198 302 K C -0.163 176.315 176.600 -0.204 0.000 1.022 302 K CA 0.005 56.172 56.287 -0.200 0.000 1.128 302 K CB -0.032 32.296 32.500 -0.287 0.000 0.853 302 K HN 0.269 nan 8.250 nan 0.000 0.523 303 N N 1.256 119.872 118.700 -0.139 0.000 2.671 303 N HA -0.185 4.555 4.740 -0.000 0.000 0.261 303 N C -1.310 174.140 175.510 -0.101 0.000 1.053 303 N CA 0.373 53.366 53.050 -0.095 0.000 0.732 303 N CB -1.010 37.450 38.487 -0.045 0.000 0.887 303 N HN 0.245 nan 8.380 nan 0.000 0.546 304 I N 0.282 120.729 120.570 -0.205 0.000 2.509 304 I HA 0.306 4.476 4.170 -0.000 0.000 0.293 304 I C -0.264 175.744 176.117 -0.181 0.000 1.020 304 I CA -0.927 60.212 61.300 -0.269 0.000 1.088 304 I CB 1.793 39.518 38.000 -0.458 0.000 1.267 304 I HN 0.126 nan 8.210 nan 0.000 0.430 305 N N 5.871 124.491 118.700 -0.134 0.000 2.457 305 N HA 0.307 5.047 4.740 -0.000 0.000 0.250 305 N C -0.881 174.570 175.510 -0.098 0.000 0.982 305 N CA -0.542 52.449 53.050 -0.099 0.000 0.941 305 N CB 2.144 40.594 38.487 -0.060 0.000 1.120 305 N HN 0.345 nan 8.380 nan 0.000 0.505 306 L N 3.946 125.074 121.223 -0.158 0.000 2.290 306 L HA 0.477 4.817 4.340 -0.000 0.000 0.284 306 L C -0.514 176.202 176.870 -0.257 0.000 1.078 306 L CA -0.042 54.650 54.840 -0.247 0.000 0.815 306 L CB 0.323 42.133 42.059 -0.415 0.000 1.162 306 L HN 0.409 nan 8.230 nan 0.000 0.435 307 I N 5.634 126.092 120.570 -0.187 0.000 2.418 307 I HA 0.242 4.412 4.170 -0.000 0.000 0.287 307 I C -0.969 175.116 176.117 -0.053 0.000 1.008 307 I CA -0.507 60.743 61.300 -0.083 0.000 1.104 307 I CB 1.161 39.190 38.000 0.049 0.000 1.264 307 I HN 0.397 nan 8.210 nan 0.000 0.438 308 F N 4.916 124.965 119.950 0.166 0.000 2.413 308 F HA 0.388 4.915 4.527 -0.000 0.000 0.359 308 F C 0.835 176.717 175.800 0.138 0.000 1.122 308 F CA -0.465 57.649 58.000 0.189 0.000 1.160 308 F CB 1.104 40.204 39.000 0.168 0.000 1.146 308 F HN 0.467 nan 8.300 nan 0.000 0.514 309 A N 4.863 127.867 122.820 0.307 0.000 2.937 309 A HA 0.612 4.932 4.320 -0.000 0.000 0.338 309 A C -0.447 177.201 177.584 0.107 0.000 1.273 309 A CA -0.518 51.632 52.037 0.188 0.000 0.937 309 A CB -0.421 18.691 19.000 0.186 0.000 1.133 309 A HN 0.597 nan 8.150 nan 0.000 0.491 310 V N -0.099 119.862 119.914 0.080 0.000 2.850 310 V HA 0.861 4.981 4.120 -0.000 0.000 0.315 310 V C 0.431 176.553 176.094 0.047 0.000 1.064 310 V CA -0.126 62.173 62.300 -0.002 0.000 0.979 310 V CB 1.068 32.815 31.823 -0.127 0.000 1.039 310 V HN 0.758 nan 8.190 nan 0.000 0.452 311 T N -0.063 114.517 114.554 0.044 0.000 2.788 311 T HA 0.277 4.627 4.350 -0.000 0.000 0.287 311 T C 0.894 175.636 174.700 0.070 0.000 1.007 311 T CA 0.584 62.717 62.100 0.055 0.000 1.005 311 T CB 0.973 69.867 68.868 0.044 0.000 1.012 311 T HN 1.129 nan 8.240 nan 0.000 0.530 312 E N 1.122 121.358 120.200 0.060 0.000 2.204 312 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 312 E C 1.670 178.305 176.600 0.057 0.000 0.989 312 E CA 1.457 57.892 56.400 0.058 0.000 0.824 312 E CB -0.543 29.184 29.700 0.045 0.000 0.756 312 E HN 0.748 nan 8.360 nan 0.000 0.477 313 N N 1.368 120.101 118.700 0.055 0.000 2.453 313 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 313 N C 1.305 176.853 175.510 0.062 0.000 1.041 313 N CA 1.644 54.723 53.050 0.048 0.000 0.900 313 N CB 0.190 38.702 38.487 0.041 0.000 0.961 313 N HN 0.372 nan 8.380 nan 0.000 0.443 314 V N -3.286 116.692 119.914 0.107 0.000 3.159 314 V HA 0.289 4.409 4.120 -0.000 0.000 0.333 314 V C 1.700 177.925 176.094 0.217 0.000 1.424 314 V CA -0.402 61.995 62.300 0.160 0.000 1.125 314 V CB -0.223 31.777 31.823 0.295 0.000 1.075 314 V HN -0.006 nan 8.190 nan 0.000 0.482 315 V N 2.089 122.089 119.914 0.143 0.000 2.343 315 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 315 V C 2.190 178.343 176.094 0.099 0.000 1.051 315 V CA 3.032 65.415 62.300 0.140 0.000 1.036 315 V CB -0.539 31.342 31.823 0.097 0.000 0.654 315 V HN 0.754 nan 8.190 nan 0.000 0.451 316 N N -0.204 118.519 118.700 0.039 0.000 2.188 316 N HA -0.151 4.589 4.740 -0.000 0.000 0.184 316 N C 1.665 177.118 175.510 -0.093 0.000 1.018 316 N CA 1.351 54.391 53.050 -0.016 0.000 0.858 316 N CB -0.249 38.219 38.487 -0.031 0.000 0.989 316 N HN 0.455 nan 8.380 nan 0.000 0.426 317 L N 0.097 121.239 121.223 -0.136 0.000 2.012 317 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 317 L C 1.355 177.922 176.870 -0.506 0.000 1.073 317 L CA 1.762 56.377 54.840 -0.375 0.000 0.748 317 L CB -0.711 41.114 42.059 -0.390 0.000 0.891 317 L HN 0.204 nan 8.230 nan 0.000 0.431 318 Y N -0.636 119.562 120.300 -0.169 0.000 2.420 318 Y HA -0.058 4.492 4.550 -0.000 0.000 0.292 318 Y C 2.667 178.488 175.900 -0.132 0.000 1.119 318 Y CA 1.009 58.983 58.100 -0.209 0.000 1.229 318 Y CB -0.286 37.982 38.460 -0.321 0.000 1.026 318 Y HN 0.319 nan 8.280 nan 0.000 0.554 319 Q N 0.058 119.901 119.800 0.070 0.000 2.096 319 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 319 Q C 1.760 177.770 176.000 0.017 0.000 0.982 319 Q CA 1.591 57.437 55.803 0.072 0.000 0.850 319 Q CB -0.165 28.604 28.738 0.052 0.000 0.901 319 Q HN 0.454 nan 8.270 nan 0.000 0.422 320 N N -0.340 118.302 118.700 -0.097 0.000 2.120 320 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 320 N C 1.472 176.929 175.510 -0.089 0.000 1.024 320 N CA 1.210 54.173 53.050 -0.144 0.000 0.852 320 N CB -0.393 37.927 38.487 -0.279 0.000 1.003 320 N HN 0.291 nan 8.380 nan 0.000 0.424 321 Y N 0.902 121.158 120.300 -0.074 0.000 2.224 321 Y HA -0.047 4.503 4.550 -0.000 0.000 0.289 321 Y C 2.724 178.668 175.900 0.072 0.000 1.146 321 Y CA 0.555 58.636 58.100 -0.033 0.000 1.182 321 Y CB -0.904 37.490 38.460 -0.109 0.000 0.983 321 Y HN 0.035 nan 8.280 nan 0.000 0.524 322 S N -0.274 115.586 115.700 0.267 0.000 2.399 322 S HA -0.192 4.278 4.470 -0.000 0.000 0.231 322 S C 1.856 176.560 174.600 0.173 0.000 1.022 322 S CA 1.405 59.784 58.200 0.298 0.000 0.983 322 S CB -0.184 63.198 63.200 0.303 0.000 0.803 322 S HN 0.572 nan 8.310 nan 0.000 0.480 323 E N 0.289 120.560 120.200 0.119 0.000 2.150 323 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 323 E C 1.767 178.411 176.600 0.073 0.000 0.985 323 E CA 0.927 57.372 56.400 0.076 0.000 0.814 323 E CB -0.129 29.599 29.700 0.045 0.000 0.752 323 E HN 0.497 nan 8.360 nan 0.000 0.466 324 L N 0.552 121.833 121.223 0.097 0.000 2.492 324 L HA 0.087 4.427 4.340 -0.000 0.000 0.223 324 L C 0.790 177.702 176.870 0.070 0.000 1.132 324 L CA 0.324 55.215 54.840 0.085 0.000 0.850 324 L CB 0.245 42.374 42.059 0.117 0.000 0.966 324 L HN 0.043 nan 8.230 nan 0.000 0.454 325 I N 0.572 121.194 120.570 0.086 0.000 2.621 325 I HA 0.264 4.434 4.170 -0.000 0.000 0.276 325 I C -2.335 173.806 176.117 0.040 0.000 1.118 325 I CA -1.894 59.434 61.300 0.046 0.000 1.159 325 I CB 0.886 38.913 38.000 0.043 0.000 1.357 325 I HN -0.224 nan 8.210 nan 0.000 0.513 326 P HA 0.043 nan 4.420 nan 0.000 0.265 326 P C 1.063 178.363 177.300 -0.001 0.000 1.187 326 P CA 0.873 63.982 63.100 0.015 0.000 0.766 326 P CB 0.651 32.353 31.700 0.003 0.000 0.820 327 G N 1.037 109.840 108.800 0.005 0.000 2.175 327 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.244 327 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.244 327 G C 0.191 175.086 174.900 -0.009 0.000 0.982 327 G CA 0.112 45.205 45.100 -0.010 0.000 0.641 327 G HN 0.625 nan 8.290 nan 0.000 0.527 328 T N 1.910 116.474 114.554 0.016 0.000 2.845 328 T HA 0.599 4.949 4.350 -0.000 0.000 0.288 328 T C 0.568 175.322 174.700 0.090 0.000 0.980 328 T CA 0.561 62.674 62.100 0.021 0.000 1.071 328 T CB 1.687 70.594 68.868 0.063 0.000 0.941 328 T HN 0.872 nan 8.240 nan 0.000 0.487 329 T N -0.646 113.957 114.554 0.082 0.000 2.942 329 T HA 0.782 5.132 4.350 -0.000 0.000 0.289 329 T C -0.635 174.193 174.700 0.212 0.000 1.044 329 T CA -0.791 61.386 62.100 0.129 0.000 1.023 329 T CB 1.337 70.256 68.868 0.086 0.000 1.123 329 T HN 0.318 nan 8.240 nan 0.000 0.512 330 V N 0.620 120.668 119.914 0.223 0.000 2.709 330 V HA 0.838 4.958 4.120 -0.000 0.000 0.308 330 V C 0.491 176.697 176.094 0.186 0.000 1.062 330 V CA -0.561 61.904 62.300 0.276 0.000 0.901 330 V CB 1.761 33.758 31.823 0.289 0.000 1.003 330 V HN 1.358 nan 8.190 nan 0.000 0.425 331 G N 2.011 110.921 108.800 0.183 0.000 2.569 331 G HA2 0.637 4.597 3.960 -0.000 0.000 0.300 331 G HA3 0.637 4.597 3.960 -0.000 0.000 0.300 331 G C -1.297 173.677 174.900 0.124 0.000 1.269 331 G CA -0.698 44.482 45.100 0.133 0.000 0.959 331 G HN 0.532 nan 8.290 nan 0.000 0.478 332 V N 1.488 121.461 119.914 0.098 0.000 2.408 332 V HA 0.243 4.363 4.120 -0.000 0.000 0.267 332 V C 0.213 176.356 176.094 0.081 0.000 1.047 332 V CA -0.550 61.801 62.300 0.086 0.000 0.937 332 V CB 0.852 32.718 31.823 0.071 0.000 0.999 332 V HN 0.635 nan 8.190 nan 0.000 0.472 333 L N 6.793 128.064 121.223 0.080 0.000 2.360 333 L HA 0.644 4.984 4.340 -0.000 0.000 0.276 333 L C 0.368 177.280 176.870 0.071 0.000 1.121 333 L CA 1.202 56.088 54.840 0.076 0.000 0.845 333 L CB 0.802 42.901 42.059 0.067 0.000 1.143 333 L HN 0.933 nan 8.230 nan 0.000 0.452 334 S N 3.903 119.652 115.700 0.082 0.000 2.800 334 S HA 0.384 4.854 4.470 -0.000 0.000 0.293 334 S C 0.685 175.365 174.600 0.133 0.000 1.209 334 S CA -0.563 57.690 58.200 0.089 0.000 0.884 334 S CB 0.473 63.714 63.200 0.069 0.000 1.244 334 S HN 0.595 nan 8.310 nan 0.000 0.540 335 M N 1.259 120.945 119.600 0.143 0.000 2.229 335 M HA 0.066 4.546 4.480 -0.000 0.000 0.264 335 M C 0.521 176.947 176.300 0.210 0.000 1.063 335 M CA 1.171 56.611 55.300 0.233 0.000 1.114 335 M CB -0.466 32.193 32.600 0.098 0.000 1.387 335 M HN 0.635 nan 8.290 nan 0.000 0.420 336 D N 0.909 121.381 120.400 0.120 0.000 2.312 336 D HA 0.062 4.702 4.640 -0.000 0.000 0.252 336 D C 0.346 176.696 176.300 0.083 0.000 1.150 336 D CA 0.110 54.165 54.000 0.093 0.000 0.870 336 D CB 1.125 41.961 40.800 0.061 0.000 1.153 336 D HN 0.149 nan 8.370 nan 0.000 0.457 337 S N 1.511 117.253 115.700 0.071 0.000 2.557 337 S HA 0.029 4.499 4.470 -0.000 0.000 0.223 337 S C 1.472 176.094 174.600 0.037 0.000 0.969 337 S CA -0.303 57.926 58.200 0.048 0.000 0.927 337 S CB 0.342 63.556 63.200 0.023 0.000 0.806 337 S HN 0.301 nan 8.310 nan 0.000 0.489 338 S N 3.189 118.913 115.700 0.039 0.000 2.356 338 S HA -0.138 4.332 4.470 -0.000 0.000 0.223 338 S C 1.906 176.528 174.600 0.037 0.000 1.032 338 S CA 1.322 59.542 58.200 0.033 0.000 1.005 338 S CB -0.664 62.556 63.200 0.032 0.000 0.867 338 S HN 0.733 nan 8.310 nan 0.000 0.449 339 N N 1.195 119.922 118.700 0.045 0.000 2.084 339 N HA -0.093 4.647 4.740 -0.000 0.000 0.190 339 N C 1.655 177.200 175.510 0.058 0.000 1.030 339 N CA 1.421 54.502 53.050 0.052 0.000 0.849 339 N CB -0.139 38.382 38.487 0.058 0.000 1.012 339 N HN 0.247 nan 8.380 nan 0.000 0.423 340 V N 1.211 121.162 119.914 0.061 0.000 2.719 340 V HA -0.122 3.998 4.120 -0.000 0.000 0.252 340 V C 2.240 178.364 176.094 0.051 0.000 1.065 340 V CA 0.677 63.018 62.300 0.068 0.000 1.086 340 V CB -0.240 31.631 31.823 0.079 0.000 0.700 340 V HN 0.197 nan 8.190 nan 0.000 0.467 341 L N -0.439 120.803 121.223 0.032 0.000 2.141 341 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 341 L C 2.472 179.358 176.870 0.026 0.000 1.094 341 L CA 1.566 56.416 54.840 0.017 0.000 0.763 341 L CB -0.972 41.088 42.059 0.002 0.000 0.908 341 L HN 0.260 nan 8.230 nan 0.000 0.437 342 Q N -0.424 119.397 119.800 0.034 0.000 2.170 342 Q HA -0.127 4.213 4.340 -0.000 0.000 0.203 342 Q C 2.302 178.331 176.000 0.048 0.000 0.976 342 Q CA 1.361 57.187 55.803 0.039 0.000 0.858 342 Q CB -0.237 28.525 28.738 0.040 0.000 0.907 342 Q HN 0.484 nan 8.270 nan 0.000 0.433 343 L N -0.211 121.045 121.223 0.055 0.000 2.141 343 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 343 L C 2.129 179.036 176.870 0.062 0.000 1.094 343 L CA 0.433 55.310 54.840 0.062 0.000 0.763 343 L CB -0.381 41.721 42.059 0.073 0.000 0.908 343 L HN 0.182 nan 8.230 nan 0.000 0.437 344 I N -0.670 119.934 120.570 0.056 0.000 2.353 344 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 344 I C 2.538 178.700 176.117 0.075 0.000 1.119 344 I CA 1.116 62.452 61.300 0.059 0.000 1.417 344 I CB -0.737 37.282 38.000 0.032 0.000 1.078 344 I HN 0.039 nan 8.210 nan 0.000 0.421 345 V N 1.155 121.104 119.914 0.058 0.000 2.261 345 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 345 V C 2.242 178.403 176.094 0.113 0.000 1.047 345 V CA 1.847 64.191 62.300 0.072 0.000 1.015 345 V CB -0.652 31.197 31.823 0.042 0.000 0.642 345 V HN 0.313 nan 8.190 nan 0.000 0.446 346 D N 0.579 121.029 120.400 0.083 0.000 2.116 346 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 346 D C 2.232 178.579 176.300 0.079 0.000 0.998 346 D CA 1.847 55.891 54.000 0.074 0.000 0.836 346 D CB -0.415 40.419 40.800 0.056 0.000 0.951 346 D HN 0.447 nan 8.370 nan 0.000 0.449 347 A N 0.177 123.046 122.820 0.082 0.000 1.908 347 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 347 A C 2.233 179.867 177.584 0.082 0.000 1.181 347 A CA 1.477 53.554 52.037 0.065 0.000 0.627 347 A CB -1.142 17.898 19.000 0.067 0.000 0.818 347 A HN 0.346 nan 8.150 nan 0.000 0.445 348 Y N 0.729 121.040 120.300 0.019 0.000 2.224 348 Y HA -0.044 4.506 4.550 -0.000 0.000 0.289 348 Y C 2.370 178.303 175.900 0.055 0.000 1.146 348 Y CA 1.408 59.532 58.100 0.040 0.000 1.182 348 Y CB -0.581 37.911 38.460 0.053 0.000 0.983 348 Y HN 0.249 nan 8.280 nan 0.000 0.524 349 G N -0.417 108.476 108.800 0.156 0.000 2.625 349 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.214 349 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.214 349 G C 1.454 176.353 174.900 -0.002 0.000 1.132 349 G CA 0.451 45.600 45.100 0.082 0.000 0.782 349 G HN 0.383 nan 8.290 nan 0.000 0.538 350 K N -0.402 119.974 120.400 -0.040 0.000 2.353 350 K HA 0.264 4.584 4.320 -0.000 0.000 0.195 350 K C 0.323 176.837 176.600 -0.143 0.000 1.031 350 K CA -0.290 55.957 56.287 -0.067 0.000 1.079 350 K CB 0.596 33.067 32.500 -0.048 0.000 0.857 350 K HN 0.270 nan 8.250 nan 0.000 0.535 351 I N 3.355 123.781 120.570 -0.239 0.000 2.505 351 I HA -0.004 4.166 4.170 -0.000 0.000 0.287 351 I C 0.194 176.035 176.117 -0.459 0.000 1.104 351 I CA 0.123 61.169 61.300 -0.423 0.000 1.387 351 I CB 0.156 37.760 38.000 -0.660 0.000 1.404 351 I HN -0.056 nan 8.210 nan 0.000 0.528 352 R N 4.752 125.032 120.500 -0.366 0.000 2.664 352 R HA 0.614 4.954 4.340 -0.000 0.000 0.286 352 R C -0.332 175.802 176.300 -0.276 0.000 0.967 352 R CA -0.590 55.367 56.100 -0.239 0.000 0.933 352 R CB 2.109 32.339 30.300 -0.117 0.000 1.146 352 R HN 0.723 nan 8.270 nan 0.000 0.468 353 S N 0.384 116.020 115.700 -0.106 0.000 2.709 353 S HA 0.711 5.181 4.470 -0.000 0.000 0.302 353 S C -0.787 173.858 174.600 0.076 0.000 1.127 353 S CA -0.988 57.204 58.200 -0.012 0.000 0.905 353 S CB 2.356 65.653 63.200 0.162 0.000 1.151 353 S HN 0.537 nan 8.310 nan 0.000 0.510 354 K N -0.304 120.167 120.400 0.118 0.000 2.371 354 K HA 0.695 5.015 4.320 -0.000 0.000 0.251 354 K C -1.674 175.031 176.600 0.176 0.000 0.934 354 K CA -1.055 55.302 56.287 0.116 0.000 0.798 354 K CB 1.976 34.514 32.500 0.062 0.000 1.204 354 K HN 0.356 nan 8.250 nan 0.000 0.427 355 V N 2.218 122.212 119.914 0.133 0.000 2.288 355 V HA 0.192 4.312 4.120 -0.000 0.000 0.266 355 V C -0.486 175.627 176.094 0.032 0.000 1.048 355 V CA -0.404 61.930 62.300 0.057 0.000 0.842 355 V CB 0.327 32.195 31.823 0.075 0.000 1.064 355 V HN 0.889 nan 8.190 nan 0.000 0.472 356 E N 4.930 125.107 120.200 -0.039 0.000 2.102 356 E HA 0.469 4.819 4.350 -0.000 0.000 0.263 356 E C -0.756 175.723 176.600 -0.200 0.000 0.894 356 E CA -0.624 55.717 56.400 -0.099 0.000 0.746 356 E CB 1.003 30.674 29.700 -0.048 0.000 1.129 356 E HN 0.620 nan 8.360 nan 0.000 0.416 357 L N 4.607 125.609 121.223 -0.367 0.000 2.416 357 L HA 0.222 4.562 4.340 -0.000 0.000 0.272 357 L C 0.291 176.972 176.870 -0.314 0.000 1.161 357 L CA 0.242 54.833 54.840 -0.416 0.000 0.845 357 L CB 0.474 42.112 42.059 -0.702 0.000 1.119 357 L HN 0.612 nan 8.230 nan 0.000 0.464 358 E N 1.973 122.057 120.200 -0.193 0.000 2.314 358 E HA 0.621 4.971 4.350 -0.000 0.000 0.272 358 E C -1.528 175.045 176.600 -0.043 0.000 0.884 358 E CA -0.999 55.327 56.400 -0.124 0.000 0.753 358 E CB 2.179 31.836 29.700 -0.071 0.000 1.213 358 E HN 0.181 nan 8.360 nan 0.000 0.432 359 V N 2.301 122.208 119.914 -0.010 0.000 2.472 359 V HA 0.520 4.640 4.120 -0.000 0.000 0.290 359 V C -0.034 176.099 176.094 0.066 0.000 1.037 359 V CA -0.682 61.662 62.300 0.073 0.000 0.908 359 V CB 1.099 32.968 31.823 0.077 0.000 0.985 359 V HN 0.634 nan 8.190 nan 0.000 0.454 360 R N 2.377 122.947 120.500 0.117 0.000 2.575 360 R HA 0.452 4.792 4.340 -0.000 0.000 0.293 360 R C -0.985 175.395 176.300 0.133 0.000 0.983 360 R CA -0.734 55.423 56.100 0.095 0.000 0.887 360 R CB 1.595 31.942 30.300 0.079 0.000 1.184 360 R HN 0.832 nan 8.270 nan 0.000 0.445 361 D N 1.165 121.620 120.400 0.092 0.000 2.800 361 D HA -0.183 4.457 4.640 -0.000 0.000 0.232 361 D C -0.477 175.897 176.300 0.123 0.000 1.137 361 D CA 0.669 54.731 54.000 0.103 0.000 0.718 361 D CB -0.897 39.973 40.800 0.116 0.000 1.084 361 D HN 0.194 nan 8.370 nan 0.000 0.432 362 L N 0.921 122.167 121.223 0.038 0.000 2.410 362 L HA 0.337 4.677 4.340 -0.000 0.000 0.273 362 L C -1.733 175.114 176.870 -0.039 0.000 1.144 362 L CA -0.806 53.975 54.840 -0.098 0.000 0.863 362 L CB 0.278 42.219 42.059 -0.196 0.000 1.140 362 L HN -0.231 nan 8.230 nan 0.000 0.463 363 P HA 0.039 nan 4.420 nan 0.000 0.268 363 P C 0.174 177.468 177.300 -0.009 0.000 1.208 363 P CA -0.137 62.981 63.100 0.029 0.000 0.777 363 P CB 0.612 32.374 31.700 0.104 0.000 0.875 364 E N 1.472 121.669 120.200 -0.005 0.000 2.153 364 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 364 E C 1.121 177.704 176.600 -0.029 0.000 0.988 364 E CA 1.793 58.182 56.400 -0.019 0.000 0.811 364 E CB -0.251 29.438 29.700 -0.018 0.000 0.746 364 E HN 0.410 nan 8.360 nan 0.000 0.466 365 E N -0.321 119.861 120.200 -0.030 0.000 2.230 365 E HA 0.128 4.478 4.350 -0.000 0.000 0.192 365 E C 0.139 176.728 176.600 -0.019 0.000 0.987 365 E CA 0.196 56.566 56.400 -0.049 0.000 0.841 365 E CB 0.052 29.682 29.700 -0.117 0.000 0.783 365 E HN 0.247 nan 8.360 nan 0.000 0.481 366 L N 1.139 122.365 121.223 0.006 0.000 2.395 366 L HA 0.298 4.638 4.340 -0.000 0.000 0.269 366 L C -0.055 176.777 176.870 -0.063 0.000 1.133 366 L CA -0.536 54.301 54.840 -0.004 0.000 0.812 366 L CB 1.012 43.057 42.059 -0.022 0.000 1.125 366 L HN 0.017 nan 8.230 nan 0.000 0.452 367 S N 2.914 118.576 115.700 -0.063 0.000 2.548 367 S HA 0.717 5.187 4.470 -0.000 0.000 0.276 367 S C -0.933 173.610 174.600 -0.095 0.000 1.129 367 S CA -0.973 57.184 58.200 -0.071 0.000 0.931 367 S CB 1.551 64.725 63.200 -0.042 0.000 1.068 367 S HN 0.414 nan 8.310 nan 0.000 0.480 368 L N 2.137 123.296 121.223 -0.107 0.000 2.332 368 L HA 0.883 5.223 4.340 -0.000 0.000 0.269 368 L C -0.014 176.731 176.870 -0.208 0.000 1.016 368 L CA -0.711 53.999 54.840 -0.218 0.000 0.809 368 L CB 2.132 44.037 42.059 -0.257 0.000 1.280 368 L HN 1.008 nan 8.230 nan 0.000 0.447 369 S N -0.148 115.290 115.700 -0.436 0.000 2.541 369 S HA 0.762 5.232 4.470 -0.000 0.000 0.271 369 S C -1.226 173.076 174.600 -0.496 0.000 1.133 369 S CA -0.768 57.278 58.200 -0.256 0.000 0.876 369 S CB 1.553 64.683 63.200 -0.117 0.000 1.105 369 S HN 0.282 nan 8.310 nan 0.000 0.470 370 F N 1.019 120.944 119.950 -0.041 0.000 2.540 370 F HA 0.591 5.118 4.527 -0.000 0.000 0.317 370 F C -0.223 175.596 175.800 0.033 0.000 1.104 370 F CA -0.743 57.250 58.000 -0.012 0.000 0.913 370 F CB 2.096 41.087 39.000 -0.015 0.000 1.170 370 F HN 0.496 nan 8.300 nan 0.000 0.450 371 N N 1.914 120.742 118.700 0.213 0.000 2.443 371 N HA 0.637 5.377 4.740 -0.000 0.000 0.269 371 N C -0.955 174.670 175.510 0.192 0.000 0.985 371 N CA -0.559 52.583 53.050 0.153 0.000 0.921 371 N CB 1.983 40.504 38.487 0.057 0.000 1.195 371 N HN 0.700 nan 8.380 nan 0.000 0.492 372 A N 1.299 124.214 122.820 0.157 0.000 2.306 372 A HA 0.744 5.064 4.320 -0.000 0.000 0.314 372 A C -0.264 177.237 177.584 -0.138 0.000 1.164 372 A CA -0.329 51.710 52.037 0.004 0.000 0.822 372 A CB 0.536 19.613 19.000 0.129 0.000 1.130 372 A HN 0.455 nan 8.150 nan 0.000 0.496 373 T N 2.131 116.501 114.554 -0.307 0.000 3.009 373 T HA 0.380 4.730 4.350 -0.000 0.000 0.346 373 T C -0.039 174.517 174.700 -0.241 0.000 1.092 373 T CA -0.372 61.604 62.100 -0.206 0.000 1.080 373 T CB -0.038 68.738 68.868 -0.153 0.000 1.037 373 T HN 0.748 nan 8.240 nan 0.000 0.487 374 c N 1.715 120.216 118.600 -0.165 0.000 2.062 374 c HA 0.421 4.991 4.570 -0.000 0.000 0.333 374 c C 2.446 176.487 174.090 -0.082 0.000 2.881 374 c CA -0.759 55.491 56.329 -0.131 0.000 1.825 374 c CB -0.582 41.879 42.510 -0.081 0.000 2.184 374 c HN 0.850 nan 8.230 nan 0.000 0.359 375 L N 2.159 123.352 121.223 -0.050 0.000 2.141 375 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 375 L C 2.160 179.014 176.870 -0.028 0.000 1.094 375 L CA 1.442 56.263 54.840 -0.031 0.000 0.763 375 L CB -0.811 41.239 42.059 -0.015 0.000 0.908 375 L HN 0.758 nan 8.230 nan 0.000 0.437 376 N N -0.661 118.022 118.700 -0.029 0.000 2.521 376 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 376 N C 0.165 175.658 175.510 -0.027 0.000 1.146 376 N CA 0.375 53.411 53.050 -0.023 0.000 0.893 376 N CB -0.634 37.841 38.487 -0.019 0.000 0.975 376 N HN 0.223 nan 8.380 nan 0.000 0.451 377 N N 0.417 119.094 118.700 -0.039 0.000 2.735 377 N HA -0.168 4.572 4.740 -0.000 0.000 0.248 377 N C -1.226 174.262 175.510 -0.036 0.000 1.083 377 N CA 0.807 53.833 53.050 -0.041 0.000 0.703 377 N CB -1.465 37.004 38.487 -0.030 0.000 1.005 377 N HN 0.656 nan 8.380 nan 0.000 0.550 378 E N -0.084 120.094 120.200 -0.037 0.000 2.171 378 E HA 0.386 4.736 4.350 -0.000 0.000 0.271 378 E C -0.192 176.388 176.600 -0.032 0.000 0.916 378 E CA -0.786 55.598 56.400 -0.028 0.000 0.774 378 E CB 2.030 31.718 29.700 -0.020 0.000 1.128 378 E HN -0.091 nan 8.360 nan 0.000 0.403 379 V N 5.365 125.265 119.914 -0.025 0.000 2.415 379 V HA 0.142 4.262 4.120 -0.000 0.000 0.267 379 V C 0.134 176.225 176.094 -0.005 0.000 1.042 379 V CA 0.157 62.445 62.300 -0.019 0.000 1.000 379 V CB -0.188 31.627 31.823 -0.014 0.000 1.015 379 V HN 0.538 nan 8.190 nan 0.000 0.478 380 I N 8.098 128.670 120.570 0.003 0.000 2.354 380 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 380 I C -2.342 173.799 176.117 0.040 0.000 1.007 380 I CA -2.025 59.285 61.300 0.018 0.000 1.167 380 I CB 1.837 39.848 38.000 0.017 0.000 1.320 380 I HN 0.409 nan 8.210 nan 0.000 0.458 381 P HA 0.145 nan 4.420 nan 0.000 0.271 381 P C 0.781 178.118 177.300 0.061 0.000 1.218 381 P CA 0.301 63.429 63.100 0.047 0.000 0.780 381 P CB 0.777 32.493 31.700 0.027 0.000 0.901 382 G N 0.566 109.419 108.800 0.089 0.000 2.160 382 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.251 382 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.251 382 G C -0.487 174.466 174.900 0.089 0.000 1.008 382 G CA -0.040 45.116 45.100 0.093 0.000 0.724 382 G HN 0.572 nan 8.290 nan 0.000 0.514 383 L N -0.186 121.106 121.223 0.115 0.000 2.386 383 L HA 0.830 5.170 4.340 -0.000 0.000 0.271 383 L C 0.243 177.192 176.870 0.131 0.000 0.993 383 L CA -0.933 53.961 54.840 0.090 0.000 0.819 383 L CB 1.491 43.601 42.059 0.084 0.000 1.294 383 L HN 0.237 nan 8.230 nan 0.000 0.414 384 K N 1.956 122.346 120.400 -0.018 0.000 3.123 384 K HA 0.550 4.870 4.320 -0.000 0.000 0.209 384 K C -1.045 175.451 176.600 -0.173 0.000 1.132 384 K CA -0.205 55.943 56.287 -0.231 0.000 0.992 384 K CB 0.375 32.388 32.500 -0.812 0.000 0.773 384 K HN 0.503 nan 8.250 nan 0.000 0.458 385 S N -0.518 115.267 115.700 0.142 0.000 2.563 385 S HA 0.455 4.925 4.470 -0.000 0.000 0.279 385 S C -0.650 174.057 174.600 0.178 0.000 1.155 385 S CA -0.805 57.476 58.200 0.135 0.000 0.928 385 S CB 0.693 63.899 63.200 0.010 0.000 1.107 385 S HN 0.288 nan 8.310 nan 0.000 0.462 386 c N 3.291 122.002 118.600 0.186 0.000 2.529 386 c HA 0.854 5.424 4.570 -0.000 0.000 0.329 386 c C -0.052 174.076 174.090 0.062 0.000 1.194 386 c CA -0.603 55.775 56.329 0.081 0.000 1.779 386 c CB 1.105 43.628 42.510 0.022 0.000 2.322 386 c HN 0.981 nan 8.230 nan 0.000 0.500 387 M N 0.840 120.460 119.600 0.034 0.000 2.619 387 M HA 0.601 5.081 4.480 -0.000 0.000 0.297 387 M C 0.512 176.821 176.300 0.016 0.000 1.229 387 M CA 0.226 55.541 55.300 0.025 0.000 0.860 387 M CB 2.041 34.648 32.600 0.011 0.000 1.741 387 M HN 0.984 nan 8.290 nan 0.000 0.462 388 G N 1.506 110.312 108.800 0.010 0.000 2.203 388 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.231 388 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.231 388 G C -1.070 173.843 174.900 0.023 0.000 1.058 388 G CA -0.605 44.497 45.100 0.003 0.000 0.781 388 G HN 0.456 nan 8.290 nan 0.000 0.496 389 L N 0.580 121.834 121.223 0.051 0.000 2.305 389 L HA 0.515 4.855 4.340 -0.000 0.000 0.281 389 L C 1.024 177.969 176.870 0.124 0.000 1.085 389 L CA 0.006 54.899 54.840 0.088 0.000 0.813 389 L CB 0.990 43.127 42.059 0.130 0.000 1.157 389 L HN 0.186 nan 8.230 nan 0.000 0.436 390 K N 2.696 123.159 120.400 0.105 0.000 2.209 390 K HA 0.480 4.800 4.320 -0.000 0.000 0.238 390 K C -0.418 176.241 176.600 0.098 0.000 1.028 390 K CA -1.090 55.273 56.287 0.126 0.000 0.935 390 K CB 0.866 33.409 32.500 0.071 0.000 1.162 390 K HN 0.283 nan 8.250 nan 0.000 0.485 391 I N 1.760 122.345 120.570 0.025 0.000 2.587 391 I HA -0.019 4.151 4.170 -0.000 0.000 0.284 391 I C 1.358 177.467 176.117 -0.013 0.000 1.134 391 I CA 1.155 62.409 61.300 -0.078 0.000 1.410 391 I CB -0.514 37.408 38.000 -0.129 0.000 1.392 391 I HN 1.066 nan 8.210 nan 0.000 0.545 392 G N 5.422 114.219 108.800 -0.004 0.000 2.254 392 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.225 392 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.225 392 G C 0.152 175.070 174.900 0.028 0.000 1.003 392 G CA -0.433 44.675 45.100 0.014 0.000 0.622 392 G HN 0.502 nan 8.290 nan 0.000 0.507 393 D N 1.706 122.130 120.400 0.039 0.000 2.414 393 D HA 0.515 5.155 4.640 -0.000 0.000 0.242 393 D C 0.436 176.763 176.300 0.044 0.000 1.129 393 D CA 1.000 55.023 54.000 0.039 0.000 0.885 393 D CB 1.046 41.874 40.800 0.046 0.000 1.198 393 D HN 0.190 nan 8.370 nan 0.000 0.437 394 T N 0.708 115.275 114.554 0.022 0.000 2.841 394 T HA 0.572 4.922 4.350 -0.000 0.000 0.283 394 T C -0.095 174.590 174.700 -0.025 0.000 1.000 394 T CA -0.819 61.289 62.100 0.013 0.000 0.977 394 T CB 1.450 70.323 68.868 0.009 0.000 0.979 394 T HN 0.217 nan 8.240 nan 0.000 0.446 395 V N -0.387 119.497 119.914 -0.050 0.000 3.074 395 V HA 0.982 5.102 4.120 -0.000 0.000 0.314 395 V C -0.392 175.568 176.094 -0.224 0.000 1.117 395 V CA -0.866 61.335 62.300 -0.164 0.000 1.014 395 V CB 2.057 33.752 31.823 -0.213 0.000 1.057 395 V HN 0.820 nan 8.190 nan 0.000 0.438 396 S N 1.030 116.492 115.700 -0.395 0.000 2.536 396 S HA 0.885 5.355 4.470 -0.000 0.000 0.287 396 S C -1.554 172.726 174.600 -0.532 0.000 1.101 396 S CA -0.370 57.654 58.200 -0.294 0.000 0.950 396 S CB 1.105 64.221 63.200 -0.140 0.000 1.056 396 S HN 0.615 nan 8.310 nan 0.000 0.481 397 F N 1.616 121.585 119.950 0.032 0.000 2.563 397 F HA 0.591 5.118 4.527 -0.000 0.000 0.316 397 F C 0.415 176.229 175.800 0.024 0.000 1.076 397 F CA -0.694 57.338 58.000 0.053 0.000 0.921 397 F CB 2.279 41.344 39.000 0.109 0.000 1.209 397 F HN 0.461 nan 8.300 nan 0.000 0.462 398 S N 2.910 118.716 115.700 0.177 0.000 2.474 398 S HA 0.757 5.227 4.470 -0.000 0.000 0.321 398 S C -0.933 173.581 174.600 -0.144 0.000 1.080 398 S CA -0.384 57.817 58.200 0.001 0.000 1.106 398 S CB 0.040 63.227 63.200 -0.023 0.000 0.984 398 S HN 0.405 nan 8.310 nan 0.000 0.464 399 I N 3.834 124.148 120.570 -0.427 0.000 2.412 399 I HA 0.479 4.649 4.170 -0.000 0.000 0.296 399 I C 0.166 175.760 176.117 -0.871 0.000 0.987 399 I CA -0.294 60.522 61.300 -0.806 0.000 1.180 399 I CB 1.776 39.158 38.000 -1.031 0.000 1.340 399 I HN 0.590 nan 8.210 nan 0.000 0.455 400 E N 4.633 124.455 120.200 -0.631 0.000 2.165 400 E HA 0.744 5.094 4.350 -0.000 0.000 0.266 400 E C -1.285 175.146 176.600 -0.280 0.000 0.889 400 E CA -0.891 55.280 56.400 -0.383 0.000 0.756 400 E CB 1.341 30.901 29.700 -0.233 0.000 1.131 400 E HN 0.743 nan 8.360 nan 0.000 0.411 401 A N 5.296 128.058 122.820 -0.097 0.000 2.249 401 A HA 0.361 4.681 4.320 -0.000 0.000 0.314 401 A C -0.521 177.083 177.584 0.033 0.000 1.290 401 A CA -0.584 51.469 52.037 0.027 0.000 0.893 401 A CB 0.566 19.722 19.000 0.259 0.000 1.165 401 A HN 0.580 nan 8.150 nan 0.000 0.530 402 K N 2.531 122.931 120.400 -0.000 0.000 2.221 402 K HA 0.618 4.938 4.320 -0.000 0.000 0.258 402 K C -1.322 175.302 176.600 0.040 0.000 0.944 402 K CA -0.465 55.832 56.287 0.017 0.000 0.823 402 K CB 1.823 34.316 32.500 -0.011 0.000 1.113 402 K HN 0.495 nan 8.250 nan 0.000 0.431 403 V N 4.279 124.234 119.914 0.067 0.000 2.581 403 V HA 0.448 4.568 4.120 -0.000 0.000 0.303 403 V C -0.813 175.287 176.094 0.010 0.000 1.041 403 V CA -0.894 61.450 62.300 0.072 0.000 0.907 403 V CB 1.593 33.522 31.823 0.177 0.000 0.994 403 V HN 0.855 nan 8.190 nan 0.000 0.442 404 R N 4.820 125.302 120.500 -0.029 0.000 2.230 404 R HA 0.574 4.914 4.340 -0.000 0.000 0.337 404 R C 0.560 176.813 176.300 -0.078 0.000 1.063 404 R CA 0.835 56.908 56.100 -0.045 0.000 0.935 404 R CB 0.251 30.524 30.300 -0.044 0.000 1.121 404 R HN 1.382 nan 8.270 nan 0.000 0.486 405 G N 2.557 111.319 108.800 -0.063 0.000 2.528 405 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.262 405 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.262 405 G C -0.871 173.953 174.900 -0.127 0.000 1.200 405 G CA -0.015 45.037 45.100 -0.081 0.000 0.951 405 G HN 0.806 nan 8.290 nan 0.000 0.566 406 c N 2.778 121.279 118.600 -0.165 0.000 2.407 406 c HA 0.738 5.308 4.570 -0.000 0.000 0.328 406 c C -2.270 171.636 174.090 -0.307 0.000 1.137 406 c CA -1.120 55.069 56.329 -0.233 0.000 1.390 406 c CB 0.366 42.805 42.510 -0.118 0.000 1.989 406 c HN 0.738 nan 8.230 nan 0.000 0.432 407 P HA 0.302 nan 4.420 nan 0.000 0.275 407 P C 0.143 177.298 177.300 -0.242 0.000 1.227 407 P CA 0.115 62.951 63.100 -0.439 0.000 0.781 407 P CB 0.632 31.921 31.700 -0.685 0.000 0.906 408 Q N 0.788 120.517 119.800 -0.118 0.000 2.360 408 Q HA -0.025 4.315 4.340 -0.000 0.000 0.202 408 Q C 1.143 177.146 176.000 0.004 0.000 0.915 408 Q CA 0.327 56.104 55.803 -0.043 0.000 0.943 408 Q CB 0.256 28.971 28.738 -0.039 0.000 1.064 408 Q HN 0.500 nan 8.270 nan 0.000 0.511 409 E N 0.926 121.135 120.200 0.015 0.000 2.150 409 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 409 E C 0.704 177.383 176.600 0.132 0.000 0.985 409 E CA 0.540 56.980 56.400 0.067 0.000 0.814 409 E CB 0.265 30.010 29.700 0.076 0.000 0.752 409 E HN 0.174 nan 8.360 nan 0.000 0.466 410 K N -0.362 120.184 120.400 0.243 0.000 11.134 410 K HA -0.243 4.077 4.320 -0.000 0.000 0.527 410 K C 0.317 177.046 176.600 0.215 0.000 0.391 410 K CA 1.950 58.419 56.287 0.304 0.000 1.928 410 K CB -1.323 31.260 32.500 0.138 0.000 0.781 410 K HN 0.246 nan 8.250 nan 0.000 1.243 411 E N 3.038 123.300 120.200 0.104 0.000 2.044 411 E HA 0.246 4.596 4.350 -0.000 0.000 0.282 411 E C -0.199 176.432 176.600 0.052 0.000 1.031 411 E CA -0.068 56.352 56.400 0.032 0.000 0.824 411 E CB 0.864 30.570 29.700 0.010 0.000 1.076 411 E HN 0.172 nan 8.360 nan 0.000 0.395 412 K N 0.938 121.362 120.400 0.040 0.000 2.372 412 K HA 0.642 4.962 4.320 -0.000 0.000 0.251 412 K C -0.714 175.900 176.600 0.024 0.000 1.055 412 K CA -1.034 55.295 56.287 0.069 0.000 0.879 412 K CB 2.014 34.609 32.500 0.158 0.000 1.384 412 K HN 0.443 nan 8.250 nan 0.000 0.465 413 S N -0.010 115.725 115.700 0.059 0.000 2.543 413 S HA 0.691 5.161 4.470 -0.000 0.000 0.274 413 S C -1.072 173.586 174.600 0.096 0.000 1.149 413 S CA -1.072 57.124 58.200 -0.007 0.000 0.866 413 S CB 0.601 63.750 63.200 -0.084 0.000 1.111 413 S HN 0.619 nan 8.310 nan 0.000 0.457 414 F N -0.860 119.083 119.950 -0.011 0.000 2.675 414 F HA 0.960 5.487 4.527 -0.000 0.000 0.324 414 F C -0.821 174.983 175.800 0.007 0.000 1.106 414 F CA -0.898 57.108 58.000 0.010 0.000 0.970 414 F CB 1.191 40.210 39.000 0.032 0.000 1.385 414 F HN 0.562 nan 8.300 nan 0.000 0.489 415 T N 1.988 116.699 114.554 0.261 0.000 2.876 415 T HA 0.631 4.981 4.350 -0.000 0.000 0.289 415 T C -0.812 174.026 174.700 0.230 0.000 1.014 415 T CA -0.418 61.752 62.100 0.118 0.000 0.986 415 T CB 1.665 70.576 68.868 0.072 0.000 1.021 415 T HN 0.580 nan 8.240 nan 0.000 0.458 416 I N 2.753 123.413 120.570 0.150 0.000 2.420 416 I HA 0.430 4.600 4.170 -0.000 0.000 0.282 416 I C -0.203 175.943 176.117 0.047 0.000 1.019 416 I CA -0.641 60.748 61.300 0.149 0.000 1.130 416 I CB 1.364 39.502 38.000 0.231 0.000 1.262 416 I HN 0.332 nan 8.210 nan 0.000 0.454 417 K N 8.360 128.767 120.400 0.011 0.000 2.376 417 K HA 0.568 4.888 4.320 -0.000 0.000 0.257 417 K C -2.767 173.795 176.600 -0.063 0.000 0.939 417 K CA -1.748 54.534 56.287 -0.009 0.000 0.809 417 K CB 2.309 34.824 32.500 0.026 0.000 1.121 417 K HN 0.096 nan 8.250 nan 0.000 0.425 418 P HA 0.014 nan 4.420 nan 0.000 0.271 418 P C -0.758 176.560 177.300 0.029 0.000 1.216 418 P CA -0.522 62.473 63.100 -0.175 0.000 0.776 418 P CB 0.785 32.139 31.700 -0.578 0.000 0.881 419 V N 3.146 123.090 119.914 0.049 0.000 2.585 419 V HA 0.297 4.417 4.120 -0.000 0.000 0.296 419 V C 1.683 177.924 176.094 0.246 0.000 1.035 419 V CA 1.836 64.202 62.300 0.110 0.000 1.084 419 V CB -0.292 31.564 31.823 0.056 0.000 0.953 419 V HN 1.034 nan 8.190 nan 0.000 0.483 420 G N 4.458 113.375 108.800 0.195 0.000 2.268 420 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.240 420 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.240 420 G C -0.027 174.955 174.900 0.138 0.000 1.010 420 G CA -0.097 45.096 45.100 0.156 0.000 0.618 420 G HN 0.494 nan 8.290 nan 0.000 0.516 421 F N 1.206 121.174 119.950 0.030 0.000 2.371 421 F HA 0.597 5.124 4.527 -0.000 0.000 0.329 421 F C 1.662 177.476 175.800 0.023 0.000 1.107 421 F CA -0.200 57.818 58.000 0.030 0.000 1.137 421 F CB 1.205 40.224 39.000 0.032 0.000 1.214 421 F HN -0.081 nan 8.300 nan 0.000 0.536 422 K N -0.040 120.461 120.400 0.170 0.000 2.262 422 K HA 0.033 4.353 4.320 -0.000 0.000 0.200 422 K C -0.290 176.380 176.600 0.116 0.000 1.049 422 K CA 0.361 56.712 56.287 0.108 0.000 0.979 422 K CB -0.059 32.475 32.500 0.057 0.000 0.773 422 K HN 0.613 nan 8.250 nan 0.000 0.474 423 D N 1.068 121.565 120.400 0.162 0.000 2.357 423 D HA 0.118 4.758 4.640 -0.000 0.000 0.242 423 D C -0.098 176.256 176.300 0.090 0.000 1.153 423 D CA 0.259 54.331 54.000 0.121 0.000 0.918 423 D CB 1.008 41.896 40.800 0.147 0.000 1.181 423 D HN 0.062 nan 8.370 nan 0.000 0.435 424 S N 0.098 115.827 115.700 0.048 0.000 2.552 424 S HA 0.437 4.907 4.470 -0.000 0.000 0.272 424 S C -1.636 172.967 174.600 0.004 0.000 1.150 424 S CA -1.143 57.072 58.200 0.024 0.000 0.849 424 S CB 0.861 64.076 63.200 0.025 0.000 1.113 424 S HN 0.350 nan 8.310 nan 0.000 0.458 425 L N 2.551 123.774 121.223 -0.001 0.000 2.261 425 L HA 0.611 4.951 4.340 -0.000 0.000 0.289 425 L C -0.824 175.988 176.870 -0.096 0.000 1.059 425 L CA -0.658 54.162 54.840 -0.033 0.000 0.816 425 L CB -0.127 41.936 42.059 0.007 0.000 1.191 425 L HN 0.745 nan 8.230 nan 0.000 0.431 426 I N 5.688 126.176 120.570 -0.137 0.000 2.428 426 I HA 0.291 4.461 4.170 -0.000 0.000 0.289 426 I C -0.491 175.415 176.117 -0.353 0.000 1.019 426 I CA -0.574 60.597 61.300 -0.215 0.000 1.351 426 I CB 1.301 39.210 38.000 -0.152 0.000 1.412 426 I HN 0.281 nan 8.210 nan 0.000 0.513 427 V N 6.286 125.845 119.914 -0.592 0.000 2.376 427 V HA 0.242 4.362 4.120 -0.000 0.000 0.287 427 V C -0.258 175.472 176.094 -0.606 0.000 1.015 427 V CA -0.751 61.106 62.300 -0.739 0.000 0.834 427 V CB 1.254 32.350 31.823 -1.211 0.000 1.001 427 V HN 0.692 nan 8.190 nan 0.000 0.428 428 Q N 3.098 122.674 119.800 -0.372 0.000 2.288 428 Q HA 0.532 4.872 4.340 -0.000 0.000 0.258 428 Q C -0.744 175.109 176.000 -0.246 0.000 0.957 428 Q CA -0.338 55.313 55.803 -0.253 0.000 0.919 428 Q CB 2.133 30.759 28.738 -0.187 0.000 1.185 428 Q HN 0.604 nan 8.270 nan 0.000 0.408 429 V N 2.956 122.743 119.914 -0.210 0.000 2.398 429 V HA 0.387 4.507 4.120 -0.000 0.000 0.286 429 V C -0.051 175.785 176.094 -0.430 0.000 1.026 429 V CA -0.495 61.617 62.300 -0.312 0.000 0.868 429 V CB 1.749 33.410 31.823 -0.270 0.000 0.982 429 V HN 0.766 nan 8.190 nan 0.000 0.443 430 T N 5.017 119.284 114.554 -0.478 0.000 2.863 430 T HA 0.650 5.000 4.350 -0.000 0.000 0.285 430 T C -0.779 173.609 174.700 -0.520 0.000 1.009 430 T CA -0.169 61.692 62.100 -0.398 0.000 0.989 430 T CB 1.122 69.877 68.868 -0.187 0.000 1.004 430 T HN 0.327 nan 8.240 nan 0.000 0.455 431 F N 1.959 121.904 119.950 -0.009 0.000 2.325 431 F HA 0.284 4.811 4.527 -0.000 0.000 0.369 431 F C 0.528 176.314 175.800 -0.022 0.000 1.095 431 F CA -1.042 56.950 58.000 -0.012 0.000 1.082 431 F CB 0.945 39.940 39.000 -0.008 0.000 1.289 431 F HN 0.405 nan 8.300 nan 0.000 0.462 432 D N 3.196 123.662 120.400 0.110 0.000 2.422 432 D HA 0.181 4.821 4.640 -0.000 0.000 0.227 432 D C 0.057 176.383 176.300 0.044 0.000 1.190 432 D CA 0.039 54.068 54.000 0.047 0.000 0.905 432 D CB 0.664 41.465 40.800 0.001 0.000 1.034 432 D HN 0.545 nan 8.370 nan 0.000 0.507 433 c N 3.050 121.672 118.600 0.037 0.000 3.104 433 c HA 0.293 4.863 4.570 -0.000 0.000 0.284 433 c C 0.336 174.411 174.090 -0.026 0.000 1.326 433 c CA -0.588 55.745 56.329 0.006 0.000 1.725 433 c CB -0.548 41.965 42.510 0.003 0.000 2.156 433 c HN 0.479 nan 8.230 nan 0.000 0.638 434 D N -0.661 119.723 120.400 -0.026 0.000 2.467 434 D HA 0.504 5.144 4.640 -0.000 0.000 0.245 434 D C -0.556 175.715 176.300 -0.050 0.000 1.038 434 D CA -0.071 53.900 54.000 -0.048 0.000 1.038 434 D CB 1.439 42.217 40.800 -0.037 0.000 1.278 434 D HN 0.157 nan 8.370 nan 0.000 0.564 435 c N -0.213 118.346 118.600 -0.067 0.000 2.486 435 c HA 0.640 5.210 4.570 -0.000 0.000 0.348 435 c C 1.767 175.841 174.090 -0.027 0.000 1.203 435 c CA -0.509 55.791 56.329 -0.049 0.000 1.911 435 c CB 1.082 43.537 42.510 -0.093 0.000 2.340 435 c HN 0.786 nan 8.230 nan 0.000 0.511 436 A N 0.067 122.888 122.820 0.001 0.000 2.015 436 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 436 A C 1.799 179.388 177.584 0.009 0.000 1.163 436 A CA 2.025 54.068 52.037 0.010 0.000 0.646 436 A CB -0.779 18.238 19.000 0.028 0.000 0.806 436 A HN 1.114 nan 8.150 nan 0.000 0.448 437 c N -1.747 116.857 118.600 0.006 0.000 2.562 437 c HA 0.172 4.742 4.570 -0.000 0.000 0.266 437 c C 2.151 176.224 174.090 -0.028 0.000 1.382 437 c CA 0.263 56.594 56.329 0.004 0.000 1.742 437 c CB -1.473 41.050 42.510 0.023 0.000 1.812 437 c HN 0.611 nan 8.230 nan 0.000 0.559 438 Q N 1.479 121.251 119.800 -0.048 0.000 2.297 438 Q HA 0.007 4.347 4.340 -0.000 0.000 0.204 438 Q C 2.546 178.528 176.000 -0.029 0.000 0.962 438 Q CA 1.411 57.179 55.803 -0.059 0.000 0.879 438 Q CB -0.142 28.552 28.738 -0.074 0.000 0.947 438 Q HN 0.855 nan 8.270 nan 0.000 0.462 439 A N 0.848 123.660 122.820 -0.013 0.000 1.930 439 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 439 A C 1.231 178.822 177.584 0.012 0.000 1.175 439 A CA 0.976 53.013 52.037 0.000 0.000 0.627 439 A CB -0.040 18.962 19.000 0.004 0.000 0.815 439 A HN 0.210 nan 8.150 nan 0.000 0.443 440 Q N 0.288 120.100 119.800 0.020 0.000 3.122 440 Q HA 0.571 4.911 4.340 -0.000 0.000 0.360 440 Q C -0.288 175.746 176.000 0.056 0.000 1.300 440 Q CA 0.345 56.174 55.803 0.042 0.000 0.982 440 Q CB 0.259 29.030 28.738 0.056 0.000 1.534 440 Q HN 0.496 nan 8.270 nan 0.000 0.474 441 A N 1.038 123.881 122.820 0.039 0.000 2.274 441 A HA 0.406 4.726 4.320 -0.000 0.000 0.309 441 A C -0.496 177.135 177.584 0.079 0.000 1.226 441 A CA -0.536 51.529 52.037 0.047 0.000 0.853 441 A CB 0.563 19.567 19.000 0.007 0.000 1.146 441 A HN 0.403 nan 8.150 nan 0.000 0.518 442 E N 4.443 124.724 120.200 0.134 0.000 2.063 442 E HA 0.367 4.717 4.350 -0.000 0.000 0.265 442 E C -2.474 174.190 176.600 0.107 0.000 0.919 442 E CA -2.078 54.393 56.400 0.117 0.000 0.756 442 E CB 1.091 30.869 29.700 0.130 0.000 1.120 442 E HN 0.489 nan 8.360 nan 0.000 0.414 443 P HA 0.115 nan 4.420 nan 0.000 0.276 443 P C -0.749 176.585 177.300 0.057 0.000 1.244 443 P CA -0.255 62.881 63.100 0.059 0.000 0.801 443 P CB 0.551 32.275 31.700 0.040 0.000 1.006 444 N N -2.147 116.585 118.700 0.053 0.000 2.727 444 N HA -0.158 4.582 4.740 -0.000 0.000 0.249 444 N C -0.181 175.366 175.510 0.061 0.000 1.048 444 N CA 0.852 53.932 53.050 0.051 0.000 0.714 444 N CB -2.087 36.426 38.487 0.043 0.000 0.959 444 N HN 0.418 nan 8.380 nan 0.000 0.544 445 S N -0.545 115.189 115.700 0.056 0.000 2.545 445 S HA 0.172 4.642 4.470 -0.000 0.000 0.275 445 S C 1.523 176.127 174.600 0.007 0.000 1.299 445 S CA -0.291 57.923 58.200 0.024 0.000 1.048 445 S CB 0.564 63.748 63.200 -0.027 0.000 0.938 445 S HN 0.522 nan 8.310 nan 0.000 0.496 446 H N 3.739 122.800 119.070 -0.016 0.000 2.546 446 H HA 0.185 4.741 4.556 -0.000 0.000 0.277 446 H C 1.667 176.981 175.328 -0.024 0.000 1.004 446 H CA 0.879 56.918 56.048 -0.015 0.000 1.231 446 H CB -0.024 29.727 29.762 -0.018 0.000 1.382 446 H HN 0.571 nan 8.280 nan 0.000 0.580 447 R N -0.105 120.080 120.500 -0.525 0.000 2.148 447 R HA 0.087 4.427 4.340 -0.000 0.000 0.223 447 R C -0.017 176.202 176.300 -0.134 0.000 1.088 447 R CA 0.905 56.778 56.100 -0.378 0.000 0.985 447 R CB 0.174 30.199 30.300 -0.460 0.000 0.880 447 R HN 0.289 nan 8.270 nan 0.000 0.451 448 c N 2.172 120.736 118.600 -0.060 0.000 2.242 448 c HA 0.285 4.855 4.570 -0.000 0.000 0.317 448 c C -0.174 173.933 174.090 0.028 0.000 1.087 448 c CA -1.282 55.059 56.329 0.020 0.000 1.535 448 c CB -0.601 41.955 42.510 0.076 0.000 1.893 448 c HN 0.571 nan 8.230 nan 0.000 0.426 449 N N 3.305 122.021 118.700 0.026 0.000 2.727 449 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 449 N C -0.022 175.510 175.510 0.037 0.000 1.040 449 N CA 1.001 54.069 53.050 0.031 0.000 0.712 449 N CB -1.275 37.231 38.487 0.031 0.000 0.912 449 N HN 0.790 nan 8.380 nan 0.000 0.545 450 N N -0.857 117.871 118.700 0.048 0.000 2.735 450 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 450 N C 0.884 176.429 175.510 0.059 0.000 1.083 450 N CA 2.277 55.362 53.050 0.059 0.000 0.703 450 N CB -1.643 36.869 38.487 0.042 0.000 1.005 450 N HN 1.365 nan 8.380 nan 0.000 0.550 451 G N -1.245 107.594 108.800 0.065 0.000 2.160 451 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.244 451 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.244 451 G C 0.744 175.671 174.900 0.045 0.000 1.022 451 G CA 0.397 45.534 45.100 0.060 0.000 0.741 451 G HN 0.502 nan 8.290 nan 0.000 0.508 452 N N 0.018 118.742 118.700 0.040 0.000 2.368 452 N HA 0.188 4.928 4.740 -0.000 0.000 0.178 452 N C 1.225 176.756 175.510 0.035 0.000 1.076 452 N CA 1.094 54.163 53.050 0.033 0.000 0.889 452 N CB 0.622 39.126 38.487 0.028 0.000 1.040 452 N HN 0.701 nan 8.380 nan 0.000 0.463 453 G N -0.139 108.687 108.800 0.043 0.000 2.482 453 G HA2 0.472 4.432 3.960 -0.000 0.000 0.317 453 G HA3 0.472 4.432 3.960 -0.000 0.000 0.317 453 G C -0.527 174.414 174.900 0.068 0.000 1.241 453 G CA -0.201 44.928 45.100 0.049 0.000 0.967 453 G HN -0.148 nan 8.290 nan 0.000 0.482 454 T N 0.804 115.395 114.554 0.063 0.000 2.904 454 T HA 0.378 4.728 4.350 -0.000 0.000 0.290 454 T C -0.903 173.878 174.700 0.134 0.000 1.018 454 T CA 0.213 62.363 62.100 0.083 0.000 1.075 454 T CB 1.123 70.016 68.868 0.042 0.000 0.986 454 T HN 0.329 nan 8.240 nan 0.000 0.523 455 F N 2.996 122.946 119.950 0.000 0.000 2.449 455 F HA 0.485 5.012 4.527 -0.000 0.000 0.342 455 F C -0.253 175.554 175.800 0.012 0.000 1.127 455 F CA -0.797 57.206 58.000 0.006 0.000 0.975 455 F CB 0.914 39.911 39.000 -0.005 0.000 1.146 455 F HN 0.678 nan 8.300 nan 0.000 0.444 456 E N 3.762 123.597 120.200 -0.608 0.000 2.304 456 E HA 0.417 4.767 4.350 -0.000 0.000 0.277 456 E C -0.520 175.778 176.600 -0.503 0.000 0.898 456 E CA -1.089 55.036 56.400 -0.458 0.000 0.764 456 E CB 0.969 30.544 29.700 -0.208 0.000 1.216 456 E HN 0.760 nan 8.360 nan 0.000 0.419 457 c N 2.827 121.221 118.600 -0.342 0.000 4.331 457 c HA -0.055 4.515 4.570 -0.000 0.000 0.293 457 c C 1.384 175.453 174.090 -0.036 0.000 1.436 457 c CA 0.793 57.082 56.329 -0.067 0.000 1.993 457 c CB -2.318 40.238 42.510 0.076 0.000 1.266 457 c HN 1.660 nan 8.230 nan 0.000 0.795 458 G N -1.690 106.866 108.800 -0.406 0.000 2.212 458 G HA2 0.072 4.032 3.960 -0.000 0.000 0.255 458 G HA3 0.072 4.032 3.960 -0.000 0.000 0.255 458 G C -0.358 174.517 174.900 -0.042 0.000 1.062 458 G CA 0.250 45.285 45.100 -0.108 0.000 0.815 458 G HN 1.606 nan 8.290 nan 0.000 0.497 459 V N -0.877 118.880 119.914 -0.262 0.000 2.932 459 V HA 0.529 4.649 4.120 -0.000 0.000 0.307 459 V C 0.574 176.656 176.094 -0.020 0.000 1.147 459 V CA -0.815 61.477 62.300 -0.013 0.000 0.951 459 V CB 1.916 33.795 31.823 0.093 0.000 1.031 459 V HN 0.466 nan 8.190 nan 0.000 0.426 460 c N 3.923 122.589 118.600 0.111 0.000 2.362 460 c HA 0.800 5.370 4.570 -0.000 0.000 0.363 460 c C 0.423 174.549 174.090 0.060 0.000 1.220 460 c CA -0.604 55.801 56.329 0.126 0.000 2.379 460 c CB 0.888 43.479 42.510 0.135 0.000 2.351 460 c HN 0.851 nan 8.230 nan 0.000 0.582 461 R N 0.000 120.533 120.500 0.054 0.000 2.786 461 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 461 R CA 0.000 56.117 56.100 0.028 0.000 0.921 461 R CB 0.000 30.306 30.300 0.010 0.000 0.687 461 R HN 0.000 nan 8.270 nan 0.000 0.535