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 3mwp_1_B DATA FIRST_RESID 8 DATA SEQUENCE KSFLWTQSLR RELSGYCSNI KLQVVKDAQA LLHGLDFSEV SNVQRLMRKE DATA SEQUENCE RRDDNDLKRL RDLNQAVNNL VELKSTQQKS ILRVGTLTSD DLLILAADLE DATA SEQUENCE KLKSKVIRTE RPLSAGVYMG NLSSQQLDQR RALLNMIGMS XXXXXXXXXX DATA SEQUENCE DGVVRVWDVK NAELLNNQFG TMPSLTLACL TKQGQVDLND AVQALTDLGL DATA SEQUENCE IYTAKYPNTS DLDRLTQSHP ILNMIDTKKS SLNISGYNFS LGAAVKAGAC DATA SEQUENCE MLDGGNMLET IKVSPQTMDG ILKSILKVKK ALGMFISDTP GERNPYENIL DATA SEQUENCE YKICLSGDGW PYIASRTSIT GRAWENTVVD LXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXGLTY SQLMTLKDAM LQLDPNAKTW MDIEGRPEDP VEIALYQPSS DATA SEQUENCE GCYIHFFREP TDLKQFKQDA KYSHGIDVTD LFATQPGLTS AVIDALPRNM DATA SEQUENCE VITCQGSDDI RKLLESQGRK DIKLIDIALS KTDSRKYENA VWDQYKDLCH DATA SEQUENCE MHTGVVVEKK XXXXKEEITP HCALMDCIMF DAAVSGGLNT SVLRAVLPRD DATA SEQUENCE MVFR 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.438 176.600 -0.270 0.000 0.988 8 K CA 0.000 56.254 56.287 -0.055 0.000 0.838 8 K CB 0.000 32.466 32.500 -0.056 0.000 1.064 9 S N 0.710 116.201 115.700 -0.347 0.000 2.419 9 S HA -0.123 4.347 4.470 -0.000 0.000 0.233 9 S C 1.819 176.379 174.600 -0.068 0.000 1.016 9 S CA 1.149 59.075 58.200 -0.457 0.000 0.974 9 S CB -0.483 62.483 63.200 -0.390 0.000 0.786 9 S HN 0.383 nan 8.310 nan 0.000 0.492 10 F N 1.929 121.840 119.950 -0.065 0.000 2.171 10 F HA 0.064 4.591 4.527 -0.000 0.000 0.300 10 F C 1.864 177.715 175.800 0.086 0.000 1.090 10 F CA 1.073 59.113 58.000 0.066 0.000 1.293 10 F CB -0.611 38.459 39.000 0.116 0.000 1.013 10 F HN 0.307 nan 8.300 nan 0.000 0.486 11 L N -0.221 121.028 121.223 0.044 0.000 1.990 11 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 11 L C 2.017 178.956 176.870 0.114 0.000 1.072 11 L CA 2.080 56.943 54.840 0.039 0.000 0.755 11 L CB -1.248 40.897 42.059 0.144 0.000 0.889 11 L HN 0.219 nan 8.230 nan 0.000 0.432 12 W N -0.021 121.231 121.300 -0.079 0.000 2.338 12 W HA -0.142 4.518 4.660 -0.000 0.000 0.304 12 W C 2.703 179.159 176.519 -0.105 0.000 1.212 12 W CA 1.721 59.020 57.345 -0.076 0.000 1.264 12 W CB -1.876 27.557 29.460 -0.046 0.000 1.142 12 W HN 0.141 nan 8.180 nan 0.000 0.512 13 T N 0.341 114.948 114.554 0.090 0.000 2.684 13 T HA -0.255 4.095 4.350 -0.000 0.000 0.267 13 T C 1.766 176.335 174.700 -0.220 0.000 1.036 13 T CA 1.941 64.010 62.100 -0.052 0.000 1.148 13 T CB -0.454 68.383 68.868 -0.051 0.000 0.863 13 T HN 0.247 nan 8.240 nan 0.000 0.436 14 Q N 0.477 120.018 119.800 -0.432 0.000 2.124 14 Q HA -0.071 4.268 4.340 -0.000 0.000 0.202 14 Q C 2.702 178.599 176.000 -0.171 0.000 0.977 14 Q CA 1.307 56.880 55.803 -0.383 0.000 0.850 14 Q CB -0.183 28.286 28.738 -0.449 0.000 0.901 14 Q HN 0.402 nan 8.270 nan 0.000 0.429 15 S N 0.705 116.344 115.700 -0.102 0.000 2.387 15 S HA -0.039 4.431 4.470 -0.000 0.000 0.226 15 S C 1.938 176.512 174.600 -0.043 0.000 1.026 15 S CA 0.642 58.809 58.200 -0.055 0.000 0.972 15 S CB -0.060 63.119 63.200 -0.035 0.000 0.814 15 S HN 0.256 nan 8.310 nan 0.000 0.477 16 L N 1.066 122.272 121.223 -0.029 0.000 2.046 16 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 16 L C 2.665 179.534 176.870 -0.001 0.000 1.077 16 L CA 1.221 56.063 54.840 0.003 0.000 0.747 16 L CB -0.415 41.674 42.059 0.049 0.000 0.896 16 L HN 0.218 nan 8.230 nan 0.000 0.432 17 R N -0.409 120.065 120.500 -0.043 0.000 2.081 17 R HA -0.194 4.146 4.340 -0.000 0.000 0.235 17 R C 2.382 178.666 176.300 -0.027 0.000 1.131 17 R CA 1.424 57.496 56.100 -0.047 0.000 0.960 17 R CB -0.392 29.846 30.300 -0.104 0.000 0.856 17 R HN 0.288 nan 8.270 nan 0.000 0.436 18 R N 1.126 121.604 120.500 -0.038 0.000 2.070 18 R HA -0.197 4.143 4.340 -0.000 0.000 0.233 18 R C 2.150 178.446 176.300 -0.007 0.000 1.137 18 R CA 1.934 58.018 56.100 -0.026 0.000 0.945 18 R CB -0.111 30.169 30.300 -0.033 0.000 0.845 18 R HN 0.046 nan 8.270 nan 0.000 0.430 19 E N 0.283 120.484 120.200 0.003 0.000 2.150 19 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 19 E C 1.366 178.011 176.600 0.074 0.000 0.985 19 E CA 1.160 57.575 56.400 0.025 0.000 0.814 19 E CB 0.049 29.759 29.700 0.017 0.000 0.752 19 E HN 0.456 nan 8.360 nan 0.000 0.466 20 L N 0.061 121.342 121.223 0.097 0.000 2.667 20 L HA 0.190 4.530 4.340 -0.000 0.000 0.232 20 L C 1.977 178.947 176.870 0.166 0.000 1.138 20 L CA 0.359 55.327 54.840 0.213 0.000 0.921 20 L CB -0.040 42.135 42.059 0.194 0.000 1.180 20 L HN 0.106 nan 8.230 nan 0.000 0.487 21 S N 1.158 116.890 115.700 0.054 0.000 2.389 21 S HA -0.248 4.222 4.470 -0.000 0.000 0.231 21 S C 2.042 176.625 174.600 -0.029 0.000 1.052 21 S CA 2.062 60.267 58.200 0.009 0.000 1.053 21 S CB -0.406 62.784 63.200 -0.016 0.000 0.886 21 S HN 0.549 nan 8.310 nan 0.000 0.456 22 G N -1.351 107.371 108.800 -0.130 0.000 2.498 22 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.219 22 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.219 22 G C 0.864 175.570 174.900 -0.324 0.000 1.119 22 G CA 0.817 45.751 45.100 -0.277 0.000 0.766 22 G HN 0.687 nan 8.290 nan 0.000 0.552 23 Y N -0.325 119.982 120.300 0.011 0.000 2.449 23 Y HA 0.306 4.856 4.550 -0.000 0.000 0.254 23 Y C 1.650 177.570 175.900 0.032 0.000 1.140 23 Y CA -1.484 56.625 58.100 0.016 0.000 1.272 23 Y CB -0.270 38.200 38.460 0.017 0.000 1.114 23 Y HN 0.030 nan 8.280 nan 0.000 0.525 24 C N 0.857 120.245 119.300 0.147 0.000 2.520 24 C HA 0.691 5.151 4.460 -0.000 0.000 0.376 24 C C 0.756 175.799 174.990 0.088 0.000 1.268 24 C CA -0.504 58.581 59.018 0.112 0.000 2.414 24 C CB 0.425 28.206 27.740 0.069 0.000 2.521 24 C HN 0.480 nan 8.230 nan 0.000 0.618 25 S N 1.224 116.985 115.700 0.101 0.000 2.643 25 S HA 0.436 4.906 4.470 -0.000 0.000 0.270 25 S C -1.674 172.975 174.600 0.083 0.000 1.166 25 S CA -0.787 57.466 58.200 0.088 0.000 0.815 25 S CB 0.743 64.010 63.200 0.110 0.000 1.139 25 S HN 0.671 nan 8.310 nan 0.000 0.472 26 N N 1.303 120.042 118.700 0.065 0.000 2.488 26 N HA 0.446 5.186 4.740 -0.000 0.000 0.274 26 N C 0.478 176.023 175.510 0.058 0.000 1.111 26 N CA -0.225 52.856 53.050 0.051 0.000 0.974 26 N CB 0.656 39.164 38.487 0.035 0.000 1.089 26 N HN 0.775 nan 8.380 nan 0.000 0.465 27 I N -1.366 119.229 120.570 0.041 0.000 4.310 27 I HA 0.237 4.407 4.170 -0.000 0.000 0.328 27 I C 1.506 177.613 176.117 -0.018 0.000 1.406 27 I CA -0.403 60.905 61.300 0.013 0.000 1.174 27 I CB 0.413 38.410 38.000 -0.005 0.000 1.279 27 I HN 0.257 nan 8.210 nan 0.000 0.471 28 K N 2.085 122.483 120.400 -0.003 0.000 2.020 28 K HA -0.142 4.178 4.320 -0.000 0.000 0.212 28 K C 1.960 178.550 176.600 -0.018 0.000 1.050 28 K CA 2.075 58.356 56.287 -0.009 0.000 0.929 28 K CB -0.153 32.347 32.500 0.000 0.000 0.714 28 K HN 0.470 nan 8.250 nan 0.000 0.443 29 L N 0.674 121.890 121.223 -0.012 0.000 2.042 29 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 29 L C 2.692 179.544 176.870 -0.030 0.000 1.076 29 L CA 1.622 56.454 54.840 -0.014 0.000 0.749 29 L CB -0.394 41.663 42.059 -0.005 0.000 0.893 29 L HN 0.374 nan 8.230 nan 0.000 0.432 30 Q N -0.989 118.783 119.800 -0.047 0.000 2.079 30 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 30 Q C 2.301 178.238 176.000 -0.106 0.000 0.974 30 Q CA 1.413 57.164 55.803 -0.087 0.000 0.840 30 Q CB -0.139 28.518 28.738 -0.134 0.000 0.898 30 Q HN 0.338 nan 8.270 nan 0.000 0.430 31 V N 0.026 119.881 119.914 -0.099 0.000 2.307 31 V HA -0.223 3.896 4.120 -0.000 0.000 0.245 31 V C 2.173 178.240 176.094 -0.046 0.000 1.045 31 V CA 1.402 63.651 62.300 -0.085 0.000 1.024 31 V CB -0.422 31.362 31.823 -0.065 0.000 0.651 31 V HN 0.194 nan 8.190 nan 0.000 0.449 32 V N -0.016 119.880 119.914 -0.031 0.000 2.343 32 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 32 V C 2.434 178.522 176.094 -0.010 0.000 1.051 32 V CA 2.356 64.648 62.300 -0.013 0.000 1.036 32 V CB -0.706 31.112 31.823 -0.008 0.000 0.654 32 V HN 0.561 nan 8.190 nan 0.000 0.451 33 K N -0.044 120.343 120.400 -0.021 0.000 2.044 33 K HA -0.273 4.047 4.320 -0.000 0.000 0.210 33 K C 1.847 178.439 176.600 -0.015 0.000 1.049 33 K CA 2.210 58.485 56.287 -0.019 0.000 0.927 33 K CB -0.253 32.230 32.500 -0.028 0.000 0.713 33 K HN 0.433 nan 8.250 nan 0.000 0.443 34 D N 0.026 120.407 120.400 -0.030 0.000 2.144 34 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 34 D C 1.740 178.048 176.300 0.013 0.000 0.978 34 D CA 1.223 55.209 54.000 -0.024 0.000 0.833 34 D CB -0.182 40.582 40.800 -0.060 0.000 0.961 34 D HN 0.365 nan 8.370 nan 0.000 0.470 35 A N 0.683 123.514 122.820 0.018 0.000 1.933 35 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 35 A C 2.105 179.739 177.584 0.083 0.000 1.175 35 A CA 1.417 53.488 52.037 0.057 0.000 0.628 35 A CB -0.570 18.457 19.000 0.045 0.000 0.814 35 A HN 0.221 nan 8.150 nan 0.000 0.444 36 Q N -0.674 119.159 119.800 0.056 0.000 2.084 36 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 36 Q C 2.449 178.507 176.000 0.098 0.000 0.978 36 Q CA 1.309 57.151 55.803 0.066 0.000 0.844 36 Q CB -0.406 28.349 28.738 0.028 0.000 0.898 36 Q HN 0.685 nan 8.270 nan 0.000 0.426 37 A N 0.974 123.837 122.820 0.073 0.000 1.908 37 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 37 A C 2.065 179.730 177.584 0.136 0.000 1.181 37 A CA 1.262 53.353 52.037 0.090 0.000 0.627 37 A CB -0.716 18.311 19.000 0.045 0.000 0.818 37 A HN 0.294 nan 8.150 nan 0.000 0.445 38 L N -0.947 120.354 121.223 0.130 0.000 2.056 38 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 38 L C 2.559 179.616 176.870 0.312 0.000 1.078 38 L CA 0.920 55.854 54.840 0.157 0.000 0.749 38 L CB -0.539 41.616 42.059 0.160 0.000 0.901 38 L HN 0.355 nan 8.230 nan 0.000 0.433 39 L N -0.845 120.576 121.223 0.329 0.000 2.079 39 L HA -0.272 4.067 4.340 -0.000 0.000 0.210 39 L C 2.634 179.681 176.870 0.295 0.000 1.081 39 L CA 1.361 56.400 54.840 0.331 0.000 0.752 39 L CB -0.540 41.611 42.059 0.153 0.000 0.896 39 L HN 0.324 nan 8.230 nan 0.000 0.433 40 H N -0.957 118.197 119.070 0.140 0.000 2.436 40 H HA -0.011 4.545 4.556 -0.000 0.000 0.294 40 H C 1.840 177.224 175.328 0.092 0.000 1.048 40 H CA 1.437 57.543 56.048 0.095 0.000 1.353 40 H CB 0.238 30.036 29.762 0.059 0.000 1.414 40 H HN 0.205 nan 8.280 nan 0.000 0.536 41 G N -0.738 108.129 108.800 0.111 0.000 2.945 41 G HA2 0.129 4.088 3.960 -0.000 0.000 0.225 41 G HA3 0.129 4.088 3.960 -0.000 0.000 0.225 41 G C -0.296 174.593 174.900 -0.019 0.000 1.046 41 G CA -0.216 44.897 45.100 0.023 0.000 0.842 41 G HN 0.228 nan 8.290 nan 0.000 0.543 42 L N 1.438 122.634 121.223 -0.044 0.000 2.350 42 L HA 0.485 4.825 4.340 -0.000 0.000 0.275 42 L C -0.741 175.968 176.870 -0.268 0.000 1.099 42 L CA -0.804 53.894 54.840 -0.237 0.000 0.808 42 L CB 1.563 43.321 42.059 -0.503 0.000 1.149 42 L HN -0.096 nan 8.230 nan 0.000 0.442 43 D N 3.045 123.302 120.400 -0.239 0.000 2.374 43 D HA 0.037 4.676 4.640 -0.000 0.000 0.240 43 D C 0.664 176.836 176.300 -0.213 0.000 1.229 43 D CA 0.228 54.146 54.000 -0.137 0.000 0.895 43 D CB 0.208 40.954 40.800 -0.089 0.000 1.046 43 D HN 0.413 nan 8.370 nan 0.000 0.498 44 F N 1.435 121.390 119.950 0.009 0.000 2.502 44 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 44 F C 2.673 178.479 175.800 0.011 0.000 1.111 44 F CA 0.615 58.630 58.000 0.024 0.000 1.445 44 F CB -0.125 38.903 39.000 0.046 0.000 1.081 44 F HN 0.389 nan 8.300 nan 0.000 0.558 45 S N -0.285 115.490 115.700 0.124 0.000 2.399 45 S HA -0.222 4.247 4.470 -0.000 0.000 0.231 45 S C 1.943 176.544 174.600 0.001 0.000 1.022 45 S CA 1.443 59.679 58.200 0.061 0.000 0.983 45 S CB -0.306 62.919 63.200 0.042 0.000 0.803 45 S HN 0.340 nan 8.310 nan 0.000 0.480 46 E N 1.164 121.335 120.200 -0.050 0.000 2.158 46 E HA 0.053 4.403 4.350 -0.000 0.000 0.191 46 E C 1.868 178.363 176.600 -0.175 0.000 0.982 46 E CA 0.798 57.132 56.400 -0.110 0.000 0.823 46 E CB -0.544 29.076 29.700 -0.132 0.000 0.766 46 E HN 0.375 nan 8.360 nan 0.000 0.468 47 V N 0.201 120.013 119.914 -0.170 0.000 2.287 47 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 47 V C 2.411 178.460 176.094 -0.074 0.000 1.053 47 V CA 2.009 64.201 62.300 -0.180 0.000 1.027 47 V CB -0.870 30.968 31.823 0.026 0.000 0.646 47 V HN 0.345 nan 8.190 nan 0.000 0.447 48 S N 0.149 115.864 115.700 0.026 0.000 2.383 48 S HA -0.275 4.195 4.470 -0.000 0.000 0.229 48 S C 1.941 176.540 174.600 -0.002 0.000 1.030 48 S CA 2.149 60.377 58.200 0.046 0.000 1.002 48 S CB -0.559 62.683 63.200 0.070 0.000 0.829 48 S HN 0.670 nan 8.310 nan 0.000 0.467 49 N N 0.502 119.180 118.700 -0.037 0.000 2.188 49 N HA -0.028 4.712 4.740 -0.000 0.000 0.184 49 N C 1.503 176.976 175.510 -0.063 0.000 1.018 49 N CA 1.496 54.520 53.050 -0.044 0.000 0.858 49 N CB -0.361 38.094 38.487 -0.052 0.000 0.989 49 N HN 0.289 nan 8.380 nan 0.000 0.426 50 V N 0.629 120.465 119.914 -0.130 0.000 2.453 50 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 50 V C 2.156 178.217 176.094 -0.055 0.000 1.048 50 V CA 1.346 63.559 62.300 -0.146 0.000 1.049 50 V CB -0.560 31.032 31.823 -0.385 0.000 0.672 50 V HN 0.363 nan 8.190 nan 0.000 0.457 51 Q N -0.134 119.645 119.800 -0.035 0.000 2.096 51 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 51 Q C 2.458 178.476 176.000 0.030 0.000 0.982 51 Q CA 1.998 57.821 55.803 0.033 0.000 0.850 51 Q CB -0.331 28.444 28.738 0.063 0.000 0.901 51 Q HN 0.542 nan 8.270 nan 0.000 0.422 52 R N 0.813 121.321 120.500 0.014 0.000 2.083 52 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 52 R C 2.125 178.423 176.300 -0.003 0.000 1.137 52 R CA 1.293 57.398 56.100 0.008 0.000 0.951 52 R CB -0.247 30.055 30.300 0.003 0.000 0.851 52 R HN 0.256 nan 8.270 nan 0.000 0.434 53 L N 0.086 121.307 121.223 -0.005 0.000 2.083 53 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 53 L C 2.559 179.412 176.870 -0.029 0.000 1.083 53 L CA 0.914 55.746 54.840 -0.013 0.000 0.752 53 L CB -0.408 41.661 42.059 0.017 0.000 0.899 53 L HN 0.277 nan 8.230 nan 0.000 0.433 54 M N -0.548 119.064 119.600 0.021 0.000 2.394 54 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 54 M C 2.216 178.513 176.300 -0.005 0.000 1.073 54 M CA 1.366 56.689 55.300 0.039 0.000 1.111 54 M CB -0.947 31.729 32.600 0.127 0.000 1.401 54 M HN 0.213 nan 8.290 nan 0.000 0.448 55 R N 0.525 121.023 120.500 -0.004 0.000 2.189 55 R HA -0.007 4.333 4.340 -0.000 0.000 0.223 55 R C 0.404 176.677 176.300 -0.045 0.000 1.092 55 R CA 0.496 56.589 56.100 -0.013 0.000 0.989 55 R CB -0.042 30.260 30.300 0.002 0.000 0.876 55 R HN 0.406 nan 8.270 nan 0.000 0.457 56 K N 1.171 121.528 120.400 -0.073 0.000 2.382 56 K HA -0.029 4.291 4.320 -0.000 0.000 0.275 56 K C 0.807 177.328 176.600 -0.133 0.000 1.009 56 K CA -0.159 56.069 56.287 -0.098 0.000 0.970 56 K CB 0.640 33.069 32.500 -0.117 0.000 0.934 56 K HN -0.063 nan 8.250 nan 0.000 0.479 57 E N 2.117 122.251 120.200 -0.110 0.000 2.107 57 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 57 E C 0.092 176.596 176.600 -0.160 0.000 0.982 57 E CA 1.253 57.584 56.400 -0.116 0.000 0.809 57 E CB 0.123 29.776 29.700 -0.078 0.000 0.756 57 E HN 0.388 nan 8.360 nan 0.000 0.459 58 R N 0.285 120.689 120.500 -0.160 0.000 2.513 58 R HA 0.446 4.786 4.340 -0.000 0.000 0.301 58 R C -0.352 175.817 176.300 -0.219 0.000 0.968 58 R CA -0.367 55.628 56.100 -0.175 0.000 0.872 58 R CB 2.019 32.263 30.300 -0.094 0.000 1.177 58 R HN -0.121 nan 8.270 nan 0.000 0.444 59 R N 1.171 121.470 120.500 -0.336 0.000 2.740 59 R HA 0.336 4.676 4.340 -0.000 0.000 0.282 59 R C -0.803 175.454 176.300 -0.073 0.000 0.969 59 R CA -1.000 54.881 56.100 -0.364 0.000 0.918 59 R CB 1.567 31.263 30.300 -1.006 0.000 1.175 59 R HN 0.650 nan 8.270 nan 0.000 0.464 60 D N -0.767 119.682 120.400 0.081 0.000 2.689 60 D HA 0.136 4.776 4.640 -0.000 0.000 0.255 60 D C 0.033 176.495 176.300 0.270 0.000 1.113 60 D CA -0.621 53.487 54.000 0.181 0.000 1.115 60 D CB 0.377 41.234 40.800 0.096 0.000 1.334 60 D HN 0.221 nan 8.370 nan 0.000 0.621 61 D N -1.028 119.485 120.400 0.188 0.000 2.178 61 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 61 D C 1.276 177.651 176.300 0.124 0.000 0.980 61 D CA 0.813 54.904 54.000 0.152 0.000 0.842 61 D CB -0.021 40.838 40.800 0.099 0.000 0.948 61 D HN 0.277 nan 8.370 nan 0.000 0.472 62 N N 1.189 119.952 118.700 0.104 0.000 2.120 62 N HA -0.125 4.614 4.740 -0.000 0.000 0.188 62 N C 1.280 176.846 175.510 0.095 0.000 1.024 62 N CA 0.857 53.953 53.050 0.076 0.000 0.852 62 N CB -0.254 38.265 38.487 0.054 0.000 1.003 62 N HN 0.264 nan 8.380 nan 0.000 0.424 63 D N 0.502 120.990 120.400 0.146 0.000 2.117 63 D HA -0.109 4.531 4.640 -0.000 0.000 0.198 63 D C 2.044 178.509 176.300 0.275 0.000 0.982 63 D CA 0.411 54.526 54.000 0.191 0.000 0.828 63 D CB -0.304 40.608 40.800 0.186 0.000 0.967 63 D HN 0.135 nan 8.370 nan 0.000 0.464 64 L N 1.489 122.918 121.223 0.343 0.000 2.056 64 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 64 L C 2.084 178.970 176.870 0.028 0.000 1.078 64 L CA 1.717 56.645 54.840 0.147 0.000 0.749 64 L CB -0.526 41.535 42.059 0.004 0.000 0.901 64 L HN -0.146 nan 8.230 nan 0.000 0.433 65 K N -0.882 119.544 120.400 0.042 0.000 2.044 65 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 65 K C 2.257 178.850 176.600 -0.011 0.000 1.049 65 K CA 1.397 57.688 56.287 0.006 0.000 0.927 65 K CB -0.086 32.422 32.500 0.014 0.000 0.713 65 K HN 0.237 nan 8.250 nan 0.000 0.443 66 R N 0.637 121.139 120.500 0.005 0.000 2.091 66 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 66 R C 2.398 178.659 176.300 -0.065 0.000 1.136 66 R CA 1.250 57.334 56.100 -0.028 0.000 0.959 66 R CB -0.913 29.378 30.300 -0.016 0.000 0.856 66 R HN 0.301 nan 8.270 nan 0.000 0.437 67 L N 1.183 122.382 121.223 -0.040 0.000 2.027 67 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 67 L C 2.309 179.116 176.870 -0.106 0.000 1.074 67 L CA 1.732 56.519 54.840 -0.088 0.000 0.745 67 L CB -0.339 41.681 42.059 -0.065 0.000 0.898 67 L HN -0.036 nan 8.230 nan 0.000 0.433 68 R N -0.496 119.942 120.500 -0.103 0.000 2.092 68 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 68 R C 1.890 178.148 176.300 -0.070 0.000 1.119 68 R CA 1.339 57.378 56.100 -0.101 0.000 0.970 68 R CB -0.373 29.869 30.300 -0.095 0.000 0.864 68 R HN 0.421 nan 8.270 nan 0.000 0.440 69 D N 0.622 120.984 120.400 -0.062 0.000 2.117 69 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 69 D C 1.744 178.008 176.300 -0.061 0.000 0.982 69 D CA 0.783 54.750 54.000 -0.054 0.000 0.828 69 D CB -0.097 40.673 40.800 -0.050 0.000 0.967 69 D HN 0.028 nan 8.370 nan 0.000 0.464 70 L N 1.089 122.261 121.223 -0.086 0.000 2.093 70 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 70 L C 1.544 178.410 176.870 -0.007 0.000 1.085 70 L CA 1.483 56.263 54.840 -0.099 0.000 0.755 70 L CB -0.603 41.312 42.059 -0.240 0.000 0.904 70 L HN -0.101 nan 8.230 nan 0.000 0.435 71 N N -0.459 118.252 118.700 0.019 0.000 2.104 71 N HA -0.239 4.501 4.740 -0.000 0.000 0.190 71 N C 1.844 177.353 175.510 -0.002 0.000 1.024 71 N CA 1.344 54.417 53.050 0.039 0.000 0.853 71 N CB -0.259 38.217 38.487 -0.019 0.000 1.008 71 N HN 0.442 nan 8.380 nan 0.000 0.424 72 Q N 0.725 120.511 119.800 -0.022 0.000 2.079 72 Q HA 0.094 4.434 4.340 -0.000 0.000 0.200 72 Q C 1.850 177.837 176.000 -0.020 0.000 0.974 72 Q CA 1.640 57.429 55.803 -0.024 0.000 0.840 72 Q CB -0.432 28.288 28.738 -0.029 0.000 0.898 72 Q HN 0.346 nan 8.270 nan 0.000 0.430 73 A N -0.614 122.190 122.820 -0.027 0.000 1.902 73 A HA -0.139 4.180 4.320 -0.000 0.000 0.217 73 A C 2.267 179.835 177.584 -0.026 0.000 1.181 73 A CA 1.661 53.678 52.037 -0.033 0.000 0.623 73 A CB -0.894 18.074 19.000 -0.055 0.000 0.818 73 A HN 0.274 nan 8.150 nan 0.000 0.443 74 V N 0.633 120.538 119.914 -0.014 0.000 2.261 74 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 74 V C 2.414 178.501 176.094 -0.012 0.000 1.047 74 V CA 2.412 64.707 62.300 -0.009 0.000 1.015 74 V CB -1.123 30.709 31.823 0.014 0.000 0.642 74 V HN 0.786 nan 8.190 nan 0.000 0.446 75 N N 0.675 119.368 118.700 -0.011 0.000 2.149 75 N HA -0.200 4.540 4.740 -0.000 0.000 0.188 75 N C 1.560 177.067 175.510 -0.004 0.000 1.019 75 N CA 1.607 54.652 53.050 -0.009 0.000 0.857 75 N CB -0.212 38.269 38.487 -0.009 0.000 0.997 75 N HN 0.433 nan 8.380 nan 0.000 0.426 76 N N -0.170 118.526 118.700 -0.005 0.000 2.381 76 N HA -0.051 4.689 4.740 -0.000 0.000 0.182 76 N C 1.168 176.680 175.510 0.004 0.000 1.025 76 N CA 0.642 53.691 53.050 -0.001 0.000 0.888 76 N CB -0.025 38.460 38.487 -0.004 0.000 0.965 76 N HN 0.400 nan 8.380 nan 0.000 0.438 77 L N 0.020 121.244 121.223 0.002 0.000 2.463 77 L HA 0.140 4.480 4.340 -0.000 0.000 0.219 77 L C 0.622 177.495 176.870 0.005 0.000 1.088 77 L CA -0.025 54.821 54.840 0.010 0.000 0.849 77 L CB 0.168 42.237 42.059 0.016 0.000 1.012 77 L HN -0.066 nan 8.230 nan 0.000 0.468 78 V N -4.030 115.880 119.914 -0.007 0.000 2.713 78 V HA 0.349 4.469 4.120 -0.000 0.000 0.307 78 V C 0.836 176.913 176.094 -0.029 0.000 1.052 78 V CA -0.600 61.684 62.300 -0.026 0.000 0.967 78 V CB 1.823 33.621 31.823 -0.042 0.000 1.019 78 V HN 0.033 nan 8.190 nan 0.000 0.459 79 E N 1.922 122.090 120.200 -0.054 0.000 2.340 79 E HA 0.234 4.584 4.350 -0.000 0.000 0.194 79 E C 0.482 177.022 176.600 -0.101 0.000 0.996 79 E CA 0.415 56.787 56.400 -0.046 0.000 0.869 79 E CB 0.340 30.014 29.700 -0.044 0.000 0.835 79 E HN 0.710 nan 8.360 nan 0.000 0.493 80 L N 2.696 123.775 121.223 -0.240 0.000 2.356 80 L HA 0.159 4.499 4.340 -0.000 0.000 0.282 80 L C 0.111 176.907 176.870 -0.123 0.000 1.132 80 L CA 0.237 54.779 54.840 -0.497 0.000 0.923 80 L CB 0.071 41.720 42.059 -0.683 0.000 1.278 80 L HN -0.290 nan 8.230 nan 0.000 0.436 81 K N 1.532 122.016 120.400 0.140 0.000 2.435 81 K HA 0.560 4.880 4.320 -0.000 0.000 0.251 81 K C -0.810 175.977 176.600 0.311 0.000 0.954 81 K CA -0.799 55.594 56.287 0.176 0.000 0.820 81 K CB 2.538 35.104 32.500 0.111 0.000 1.292 81 K HN 0.184 nan 8.250 nan 0.000 0.436 82 S N 0.939 116.758 115.700 0.198 0.000 2.616 82 S HA 0.403 4.872 4.470 -0.000 0.000 0.277 82 S C -0.141 174.500 174.600 0.068 0.000 1.234 82 S CA -0.648 57.635 58.200 0.137 0.000 1.028 82 S CB 1.285 64.538 63.200 0.090 0.000 0.988 82 S HN 0.673 nan 8.310 nan 0.000 0.522 83 T N -0.060 114.510 114.554 0.026 0.000 2.885 83 T HA 0.495 4.844 4.350 -0.000 0.000 0.285 83 T C -0.534 174.154 174.700 -0.020 0.000 1.019 83 T CA -0.932 61.172 62.100 0.006 0.000 1.010 83 T CB 1.248 70.119 68.868 0.005 0.000 1.022 83 T HN 0.373 nan 8.240 nan 0.000 0.466 84 Q N 1.517 121.303 119.800 -0.023 0.000 2.239 84 Q HA 0.291 4.631 4.340 -0.000 0.000 0.286 84 Q C -0.669 175.305 176.000 -0.043 0.000 1.102 84 Q CA 0.656 56.436 55.803 -0.038 0.000 0.936 84 Q CB 0.299 29.015 28.738 -0.036 0.000 1.127 84 Q HN 0.700 nan 8.270 nan 0.000 0.380 85 Q N 2.884 122.651 119.800 -0.055 0.000 2.406 85 Q HA 0.242 4.582 4.340 -0.000 0.000 0.244 85 Q C -1.807 174.154 176.000 -0.066 0.000 0.884 85 Q CA -0.444 55.325 55.803 -0.057 0.000 0.813 85 Q CB 0.926 29.628 28.738 -0.059 0.000 1.368 85 Q HN 0.586 nan 8.270 nan 0.000 0.439 86 K N 1.770 122.134 120.400 -0.059 0.000 2.326 86 K HA 0.516 4.836 4.320 -0.000 0.000 0.275 86 K C -0.878 175.689 176.600 -0.055 0.000 1.018 86 K CA 0.125 56.376 56.287 -0.060 0.000 0.962 86 K CB 0.545 33.015 32.500 -0.050 0.000 0.953 86 K HN 0.637 nan 8.250 nan 0.000 0.475 87 S N 4.128 119.793 115.700 -0.058 0.000 2.532 87 S HA 0.483 4.953 4.470 -0.000 0.000 0.299 87 S C -0.601 173.976 174.600 -0.039 0.000 1.105 87 S CA -0.796 57.373 58.200 -0.051 0.000 1.018 87 S CB 0.898 64.062 63.200 -0.060 0.000 1.021 87 S HN 0.513 nan 8.310 nan 0.000 0.483 88 I N 3.213 123.765 120.570 -0.031 0.000 2.362 88 I HA 0.355 4.525 4.170 -0.000 0.000 0.289 88 I C -0.787 175.318 176.117 -0.019 0.000 0.994 88 I CA -0.629 60.658 61.300 -0.021 0.000 1.158 88 I CB 1.129 39.119 38.000 -0.016 0.000 1.315 88 I HN 0.338 nan 8.210 nan 0.000 0.451 89 L N 7.130 128.343 121.223 -0.016 0.000 2.265 89 L HA 0.519 4.859 4.340 -0.000 0.000 0.288 89 L C 0.128 176.994 176.870 -0.008 0.000 1.058 89 L CA -0.348 54.484 54.840 -0.014 0.000 0.809 89 L CB 0.534 42.586 42.059 -0.012 0.000 1.179 89 L HN 0.607 nan 8.230 nan 0.000 0.429 90 R N 1.826 122.321 120.500 -0.008 0.000 2.888 90 R HA 0.581 4.921 4.340 -0.000 0.000 0.266 90 R C -0.995 175.303 176.300 -0.004 0.000 1.020 90 R CA -1.102 54.995 56.100 -0.005 0.000 0.963 90 R CB 2.249 32.545 30.300 -0.006 0.000 1.197 90 R HN 0.231 nan 8.270 nan 0.000 0.481 91 V N 1.538 121.450 119.914 -0.003 0.000 2.599 91 V HA 0.293 4.413 4.120 -0.000 0.000 0.300 91 V C 0.957 177.050 176.094 -0.002 0.000 1.034 91 V CA 1.382 63.681 62.300 -0.002 0.000 1.115 91 V CB 0.549 32.371 31.823 -0.001 0.000 0.934 91 V HN 1.114 nan 8.190 nan 0.000 0.485 92 G N 3.322 112.121 108.800 -0.001 0.000 2.483 92 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.090 92 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.090 92 G C 0.791 175.692 174.900 0.001 0.000 0.984 92 G CA 0.347 45.446 45.100 -0.001 0.000 1.325 92 G HN 0.434 nan 8.290 nan 0.000 0.561 93 T N 1.639 116.195 114.554 0.002 0.000 2.699 93 T HA 0.004 4.354 4.350 -0.000 0.000 0.268 93 T C 1.217 175.920 174.700 0.004 0.000 1.036 93 T CA 1.105 63.209 62.100 0.006 0.000 1.147 93 T CB -0.377 68.497 68.868 0.009 0.000 0.862 93 T HN 0.194 nan 8.240 nan 0.000 0.446 94 L N 2.542 123.765 121.223 0.001 0.000 2.305 94 L HA 0.296 4.635 4.340 -0.000 0.000 0.281 94 L C 0.991 177.861 176.870 0.000 0.000 1.085 94 L CA -0.882 53.958 54.840 0.000 0.000 0.813 94 L CB 0.914 42.972 42.059 -0.001 0.000 1.157 94 L HN 0.209 nan 8.230 nan 0.000 0.436 95 T N -1.156 113.399 114.554 0.000 0.000 2.828 95 T HA 0.041 4.391 4.350 -0.000 0.000 0.290 95 T C 1.286 175.987 174.700 0.001 0.000 1.019 95 T CA -0.287 61.813 62.100 -0.000 0.000 1.031 95 T CB 1.462 70.330 68.868 -0.001 0.000 1.001 95 T HN 0.569 nan 8.240 nan 0.000 0.531 96 S N 0.311 116.011 115.700 0.000 0.000 2.381 96 S HA -0.262 4.208 4.470 -0.000 0.000 0.230 96 S C 1.700 176.301 174.600 0.002 0.000 1.052 96 S CA 2.255 60.456 58.200 0.001 0.000 1.068 96 S CB -0.951 62.249 63.200 -0.000 0.000 0.918 96 S HN 0.956 nan 8.310 nan 0.000 0.448 97 D N 0.214 120.615 120.400 0.001 0.000 2.144 97 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 97 D C 1.600 177.903 176.300 0.004 0.000 0.978 97 D CA 1.303 55.304 54.000 0.002 0.000 0.833 97 D CB -0.273 40.527 40.800 -0.001 0.000 0.961 97 D HN 0.349 nan 8.370 nan 0.000 0.470 98 D N -0.191 120.211 120.400 0.003 0.000 2.117 98 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 98 D C 2.252 178.560 176.300 0.013 0.000 0.987 98 D CA 0.583 54.587 54.000 0.006 0.000 0.829 98 D CB -0.281 40.521 40.800 0.003 0.000 0.961 98 D HN 0.317 nan 8.370 nan 0.000 0.460 99 L N 0.290 121.519 121.223 0.010 0.000 2.083 99 L HA -0.144 4.195 4.340 -0.000 0.000 0.209 99 L C 2.573 179.452 176.870 0.016 0.000 1.083 99 L CA 0.581 55.428 54.840 0.012 0.000 0.752 99 L CB -0.340 41.724 42.059 0.007 0.000 0.899 99 L HN 0.061 nan 8.230 nan 0.000 0.433 100 L N -0.442 120.789 121.223 0.014 0.000 2.056 100 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 100 L C 2.490 179.375 176.870 0.025 0.000 1.078 100 L CA 1.333 56.183 54.840 0.016 0.000 0.749 100 L CB -0.330 41.736 42.059 0.012 0.000 0.901 100 L HN 0.211 nan 8.230 nan 0.000 0.433 101 I N -0.400 120.186 120.570 0.028 0.000 2.179 101 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 101 I C 2.422 178.576 176.117 0.061 0.000 1.088 101 I CA 1.372 62.698 61.300 0.042 0.000 1.357 101 I CB -0.235 37.786 38.000 0.034 0.000 1.051 101 I HN 0.202 nan 8.210 nan 0.000 0.409 102 L N 0.427 121.682 121.223 0.053 0.000 2.046 102 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 102 L C 2.859 179.757 176.870 0.047 0.000 1.077 102 L CA 1.308 56.183 54.840 0.058 0.000 0.747 102 L CB -0.687 41.395 42.059 0.039 0.000 0.896 102 L HN 0.242 nan 8.230 nan 0.000 0.432 103 A N 0.013 122.854 122.820 0.036 0.000 1.908 103 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 103 A C 2.514 180.116 177.584 0.031 0.000 1.181 103 A CA 1.908 53.964 52.037 0.030 0.000 0.627 103 A CB -0.753 18.261 19.000 0.023 0.000 0.818 103 A HN 0.416 nan 8.150 nan 0.000 0.445 104 A N -0.212 122.630 122.820 0.037 0.000 1.873 104 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 104 A C 1.793 179.407 177.584 0.050 0.000 1.186 104 A CA 1.894 53.955 52.037 0.039 0.000 0.616 104 A CB -0.579 18.449 19.000 0.046 0.000 0.823 104 A HN 0.436 nan 8.150 nan 0.000 0.442 105 D N -0.115 120.328 120.400 0.072 0.000 2.178 105 D HA -0.058 4.582 4.640 -0.000 0.000 0.202 105 D C 1.901 178.221 176.300 0.034 0.000 0.974 105 D CA 0.718 54.767 54.000 0.082 0.000 0.841 105 D CB -0.255 40.633 40.800 0.146 0.000 0.953 105 D HN 0.429 nan 8.370 nan 0.000 0.478 106 L N 0.711 121.955 121.223 0.034 0.000 2.093 106 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 106 L C 2.443 179.308 176.870 -0.008 0.000 1.085 106 L CA 0.937 55.803 54.840 0.043 0.000 0.755 106 L CB -0.233 41.865 42.059 0.067 0.000 0.904 106 L HN 0.016 nan 8.230 nan 0.000 0.435 107 E N 0.927 121.111 120.200 -0.027 0.000 2.077 107 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 107 E C 2.042 178.577 176.600 -0.107 0.000 0.989 107 E CA 1.383 57.731 56.400 -0.086 0.000 0.800 107 E CB 0.144 29.816 29.700 -0.047 0.000 0.746 107 E HN 0.451 nan 8.360 nan 0.000 0.452 108 K N 0.202 120.579 120.400 -0.037 0.000 2.097 108 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 108 K C 2.270 178.847 176.600 -0.040 0.000 1.050 108 K CA 0.792 57.069 56.287 -0.017 0.000 0.938 108 K CB -0.149 32.386 32.500 0.058 0.000 0.718 108 K HN 0.070 nan 8.250 nan 0.000 0.442 109 L N 2.010 123.217 121.223 -0.027 0.000 2.056 109 L HA -0.143 4.196 4.340 -0.000 0.000 0.207 109 L C 2.241 179.060 176.870 -0.085 0.000 1.078 109 L CA 1.751 56.601 54.840 0.017 0.000 0.749 109 L CB -0.362 41.757 42.059 0.099 0.000 0.901 109 L HN 0.005 nan 8.230 nan 0.000 0.433 110 K N -0.994 119.191 120.400 -0.359 0.000 2.034 110 K HA -0.262 4.058 4.320 -0.000 0.000 0.214 110 K C 2.353 178.587 176.600 -0.609 0.000 1.051 110 K CA 2.029 57.671 56.287 -1.076 0.000 0.931 110 K CB -0.498 31.284 32.500 -1.197 0.000 0.715 110 K HN 0.428 nan 8.250 nan 0.000 0.446 111 S N 0.423 115.912 115.700 -0.351 0.000 2.356 111 S HA -0.178 4.292 4.470 -0.000 0.000 0.223 111 S C 2.030 176.546 174.600 -0.140 0.000 1.032 111 S CA 1.571 59.636 58.200 -0.225 0.000 1.005 111 S CB -0.286 62.803 63.200 -0.184 0.000 0.867 111 S HN 0.365 nan 8.310 nan 0.000 0.449 112 K N 0.412 120.759 120.400 -0.088 0.000 2.057 112 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 112 K C 2.023 178.614 176.600 -0.015 0.000 1.049 112 K CA 1.631 57.901 56.287 -0.028 0.000 0.931 112 K CB -0.403 32.108 32.500 0.018 0.000 0.714 112 K HN 0.367 nan 8.250 nan 0.000 0.440 113 V N 1.609 121.526 119.914 0.004 0.000 2.379 113 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 113 V C 2.368 178.501 176.094 0.065 0.000 1.044 113 V CA 1.420 63.759 62.300 0.065 0.000 1.036 113 V CB -0.257 31.712 31.823 0.244 0.000 0.664 113 V HN 0.278 nan 8.190 nan 0.000 0.453 114 I N -0.296 120.290 120.570 0.027 0.000 2.179 114 I HA -0.245 3.924 4.170 -0.000 0.000 0.242 114 I C 2.722 178.840 176.117 0.003 0.000 1.088 114 I CA 1.598 62.920 61.300 0.035 0.000 1.357 114 I CB -0.386 37.598 38.000 -0.028 0.000 1.051 114 I HN 0.210 nan 8.210 nan 0.000 0.409 115 R N -0.144 120.338 120.500 -0.029 0.000 2.152 115 R HA -0.103 4.236 4.340 -0.000 0.000 0.232 115 R C 2.169 178.461 176.300 -0.013 0.000 1.117 115 R CA 1.641 57.724 56.100 -0.028 0.000 0.981 115 R CB -0.392 29.881 30.300 -0.046 0.000 0.870 115 R HN 0.373 nan 8.270 nan 0.000 0.451 116 T N 0.292 114.841 114.554 -0.009 0.000 2.894 116 T HA -0.031 4.319 4.350 -0.000 0.000 0.258 116 T C 1.394 176.086 174.700 -0.013 0.000 1.043 116 T CA 1.033 63.126 62.100 -0.012 0.000 1.141 116 T CB 0.125 68.982 68.868 -0.018 0.000 0.873 116 T HN 0.351 nan 8.240 nan 0.000 0.449 117 E N 0.349 120.546 120.200 -0.004 0.000 2.206 117 E HA 0.183 4.533 4.350 -0.000 0.000 0.195 117 E C 2.292 178.900 176.600 0.013 0.000 0.935 117 E CA -0.118 56.275 56.400 -0.012 0.000 0.875 117 E CB 0.080 29.767 29.700 -0.022 0.000 0.841 117 E HN 0.166 nan 8.360 nan 0.000 0.477 118 R N 1.226 121.745 120.500 0.032 0.000 2.117 118 R HA -0.119 4.221 4.340 -0.000 0.000 0.243 118 R C -0.773 175.553 176.300 0.042 0.000 1.143 118 R CA 1.564 57.690 56.100 0.043 0.000 0.968 118 R CB -0.706 29.621 30.300 0.045 0.000 0.863 118 R HN 0.064 nan 8.270 nan 0.000 0.444 119 P HA -0.114 nan 4.420 nan 0.000 0.222 119 P C 0.820 178.151 177.300 0.052 0.000 1.147 119 P CA 1.049 64.169 63.100 0.034 0.000 0.790 119 P CB -0.017 31.694 31.700 0.018 0.000 0.780 120 L N -0.759 120.502 121.223 0.063 0.000 2.127 120 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 120 L C 2.331 179.311 176.870 0.183 0.000 1.089 120 L CA 2.097 57.005 54.840 0.113 0.000 0.757 120 L CB -0.960 41.188 42.059 0.149 0.000 0.899 120 L HN 0.164 nan 8.230 nan 0.000 0.434 121 S N -1.363 114.433 115.700 0.160 0.000 2.506 121 S HA 0.179 4.649 4.470 -0.000 0.000 0.230 121 S C 2.055 176.723 174.600 0.114 0.000 1.066 121 S CA 0.245 58.550 58.200 0.175 0.000 0.940 121 S CB -0.007 63.282 63.200 0.148 0.000 0.818 121 S HN 0.231 nan 8.310 nan 0.000 0.518 122 A N 1.923 124.791 122.820 0.080 0.000 1.897 122 A HA 0.532 4.852 4.320 -0.000 0.000 0.215 122 A C 1.539 179.157 177.584 0.056 0.000 1.181 122 A CA 0.940 53.011 52.037 0.058 0.000 0.620 122 A CB -1.316 17.706 19.000 0.036 0.000 0.821 122 A HN 1.707 nan 8.150 nan 0.000 0.443 123 G N -2.725 106.108 108.800 0.055 0.000 2.707 123 G HA2 0.138 4.098 3.960 -0.000 0.000 0.686 123 G HA3 0.138 4.098 3.960 -0.000 0.000 0.686 123 G C -0.787 174.144 174.900 0.051 0.000 1.315 123 G CA -0.427 44.705 45.100 0.052 0.000 0.832 123 G HN 1.085 nan 8.290 nan 0.000 0.573 124 V N 1.186 121.130 119.914 0.051 0.000 2.577 124 V HA 0.511 4.631 4.120 -0.000 0.000 0.303 124 V C -0.095 176.050 176.094 0.085 0.000 1.042 124 V CA -0.849 61.487 62.300 0.060 0.000 0.872 124 V CB 1.704 33.544 31.823 0.027 0.000 0.998 124 V HN 1.049 nan 8.190 nan 0.000 0.423 125 Y N 5.925 126.223 120.300 -0.004 0.000 2.526 125 Y HA 0.284 4.834 4.550 -0.000 0.000 0.330 125 Y C 0.695 176.591 175.900 -0.006 0.000 1.156 125 Y CA 0.083 58.180 58.100 -0.004 0.000 1.419 125 Y CB 0.842 39.298 38.460 -0.006 0.000 1.250 125 Y HN 0.552 nan 8.280 nan 0.000 0.540 126 M N 6.461 125.690 119.600 -0.618 0.000 2.875 126 M HA 0.236 4.715 4.480 -0.000 0.000 0.403 126 M C 0.650 176.579 176.300 -0.617 0.000 1.304 126 M CA -0.008 55.014 55.300 -0.463 0.000 0.854 126 M CB 0.161 32.626 32.600 -0.225 0.000 1.415 126 M HN 0.873 nan 8.290 nan 0.000 0.505 127 G N 1.410 109.436 108.800 -1.289 0.000 3.311 127 G HA2 0.009 3.969 3.960 -0.000 0.000 0.169 127 G HA3 0.009 3.969 3.960 -0.000 0.000 0.169 127 G C 0.225 174.969 174.900 -0.260 0.000 1.852 127 G CA -0.098 44.558 45.100 -0.740 0.000 1.010 127 G HN 0.429 nan 8.290 nan 0.000 0.530 128 N N 0.617 119.347 118.700 0.051 0.000 2.466 128 N HA 0.301 5.041 4.740 -0.000 0.000 0.263 128 N C -0.625 174.983 175.510 0.164 0.000 1.178 128 N CA 0.109 53.227 53.050 0.113 0.000 0.983 128 N CB -0.590 37.977 38.487 0.133 0.000 1.331 128 N HN 0.250 nan 8.380 nan 0.000 0.500 129 L N 0.395 121.663 121.223 0.076 0.000 2.341 129 L HA 0.531 4.870 4.340 -0.000 0.000 0.254 129 L C 0.392 177.281 176.870 0.032 0.000 1.040 129 L CA -1.261 53.624 54.840 0.075 0.000 0.837 129 L CB 1.684 43.784 42.059 0.068 0.000 1.425 129 L HN 0.369 nan 8.230 nan 0.000 0.414 130 S N -0.877 114.840 115.700 0.029 0.000 2.593 130 S HA 0.132 4.602 4.470 -0.000 0.000 0.269 130 S C 0.992 175.596 174.600 0.006 0.000 1.334 130 S CA -0.256 57.953 58.200 0.015 0.000 1.015 130 S CB 1.385 64.594 63.200 0.014 0.000 0.912 130 S HN 0.577 nan 8.310 nan 0.000 0.541 131 S N 0.841 116.542 115.700 0.002 0.000 2.372 131 S HA -0.249 4.220 4.470 -0.000 0.000 0.227 131 S C 1.942 176.541 174.600 -0.002 0.000 1.044 131 S CA 1.838 60.036 58.200 -0.003 0.000 1.050 131 S CB -0.670 62.528 63.200 -0.003 0.000 0.901 131 S HN 0.849 nan 8.310 nan 0.000 0.447 132 Q N 0.568 120.369 119.800 0.002 0.000 2.050 132 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 132 Q C 2.266 178.269 176.000 0.005 0.000 0.980 132 Q CA 1.476 57.281 55.803 0.003 0.000 0.840 132 Q CB -0.148 28.593 28.738 0.005 0.000 0.898 132 Q HN 0.622 nan 8.270 nan 0.000 0.424 133 Q N 0.064 119.870 119.800 0.010 0.000 2.061 133 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 133 Q C 2.248 178.251 176.000 0.005 0.000 0.984 133 Q CA 1.512 57.324 55.803 0.014 0.000 0.846 133 Q CB -0.117 28.639 28.738 0.029 0.000 0.902 133 Q HN 0.404 nan 8.270 nan 0.000 0.421 134 L N 0.640 121.860 121.223 -0.005 0.000 2.046 134 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 134 L C 1.858 178.718 176.870 -0.017 0.000 1.077 134 L CA 0.895 55.722 54.840 -0.020 0.000 0.747 134 L CB -0.383 41.657 42.059 -0.032 0.000 0.896 134 L HN 0.201 nan 8.230 nan 0.000 0.432 135 D N -0.164 120.230 120.400 -0.010 0.000 2.104 135 D HA -0.221 4.419 4.640 -0.000 0.000 0.194 135 D C 2.291 178.588 176.300 -0.005 0.000 0.994 135 D CA 1.286 55.281 54.000 -0.008 0.000 0.830 135 D CB -0.193 40.604 40.800 -0.005 0.000 0.959 135 D HN 0.386 nan 8.370 nan 0.000 0.452 136 Q N 0.026 119.825 119.800 -0.001 0.000 2.084 136 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 136 Q C 2.342 178.342 176.000 0.000 0.000 0.978 136 Q CA 1.015 56.819 55.803 0.002 0.000 0.844 136 Q CB 0.015 28.756 28.738 0.006 0.000 0.898 136 Q HN 0.241 nan 8.270 nan 0.000 0.426 137 R N 0.174 120.673 120.500 -0.002 0.000 2.092 137 R HA -0.039 4.301 4.340 -0.000 0.000 0.231 137 R C 2.260 178.554 176.300 -0.011 0.000 1.119 137 R CA 0.936 57.034 56.100 -0.004 0.000 0.970 137 R CB -0.098 30.200 30.300 -0.005 0.000 0.864 137 R HN 0.129 nan 8.270 nan 0.000 0.440 138 R N 0.247 120.738 120.500 -0.015 0.000 2.120 138 R HA -0.054 4.286 4.340 -0.000 0.000 0.234 138 R C 2.254 178.547 176.300 -0.012 0.000 1.123 138 R CA 1.281 57.370 56.100 -0.018 0.000 0.975 138 R CB -0.219 30.069 30.300 -0.021 0.000 0.866 138 R HN 0.199 nan 8.270 nan 0.000 0.446 139 A N 0.952 123.767 122.820 -0.008 0.000 1.930 139 A HA -0.145 4.174 4.320 -0.000 0.000 0.217 139 A C 2.012 179.594 177.584 -0.004 0.000 1.175 139 A CA 0.983 53.017 52.037 -0.004 0.000 0.627 139 A CB -0.392 18.607 19.000 -0.001 0.000 0.815 139 A HN 0.258 nan 8.150 nan 0.000 0.443 140 L N -0.030 121.191 121.223 -0.003 0.000 2.027 140 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 140 L C 2.256 179.123 176.870 -0.006 0.000 1.074 140 L CA 1.739 56.577 54.840 -0.003 0.000 0.745 140 L CB -0.606 41.451 42.059 -0.002 0.000 0.898 140 L HN 0.392 nan 8.230 nan 0.000 0.433 141 L N -0.123 121.095 121.223 -0.009 0.000 2.042 141 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 141 L C 2.399 179.261 176.870 -0.013 0.000 1.076 141 L CA 1.383 56.216 54.840 -0.012 0.000 0.749 141 L CB -1.021 41.028 42.059 -0.017 0.000 0.893 141 L HN 0.385 nan 8.230 nan 0.000 0.432 142 N N 0.528 119.221 118.700 -0.012 0.000 2.104 142 N HA -0.206 4.534 4.740 -0.000 0.000 0.190 142 N C 1.902 177.407 175.510 -0.009 0.000 1.024 142 N CA 1.968 55.011 53.050 -0.011 0.000 0.853 142 N CB -0.333 38.148 38.487 -0.009 0.000 1.008 142 N HN 0.522 nan 8.380 nan 0.000 0.424 143 M N -0.324 119.272 119.600 -0.007 0.000 2.419 143 M HA 0.120 4.600 4.480 -0.000 0.000 0.264 143 M C 1.479 177.774 176.300 -0.008 0.000 1.082 143 M CA 1.220 56.517 55.300 -0.005 0.000 1.119 143 M CB -0.292 32.308 32.600 -0.000 0.000 1.398 143 M HN 0.102 nan 8.290 nan 0.000 0.453 144 I N -2.671 117.893 120.570 -0.010 0.000 3.875 144 I HA 0.533 4.702 4.170 -0.000 0.000 0.329 144 I C 0.928 177.034 176.117 -0.019 0.000 1.295 144 I CA 0.299 61.591 61.300 -0.014 0.000 1.129 144 I CB -0.315 37.678 38.000 -0.013 0.000 1.008 144 I HN 0.488 nan 8.210 nan 0.000 0.413 145 G N 2.281 111.071 108.800 -0.017 0.000 2.160 145 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 145 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 145 G C -0.025 174.861 174.900 -0.024 0.000 1.022 145 G CA 0.139 45.228 45.100 -0.019 0.000 0.741 145 G HN 0.468 nan 8.290 nan 0.000 0.508 146 M N 1.812 121.398 119.600 -0.023 0.000 2.080 146 M HA 0.428 4.908 4.480 -0.000 0.000 0.350 146 M C 0.313 176.597 176.300 -0.027 0.000 1.143 146 M CA -0.196 55.087 55.300 -0.028 0.000 1.064 146 M CB 1.354 33.940 32.600 -0.023 0.000 1.429 146 M HN 0.121 nan 8.290 nan 0.000 0.418 159 G N -0.879 107.938 108.800 0.028 0.000 2.267 159 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.257 159 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.257 159 G C 0.071 174.898 174.900 -0.122 0.000 0.998 159 G CA 0.474 45.502 45.100 -0.119 0.000 0.620 159 G HN 0.687 nan 8.290 nan 0.000 0.529 160 V N 1.540 121.480 119.914 0.043 0.000 2.465 160 V HA 0.545 4.665 4.120 -0.000 0.000 0.279 160 V C 0.724 176.823 176.094 0.008 0.000 1.045 160 V CA -0.613 61.722 62.300 0.059 0.000 0.938 160 V CB 1.773 33.668 31.823 0.119 0.000 0.986 160 V HN 0.252 nan 8.190 nan 0.000 0.467 161 V N 7.223 127.133 119.914 -0.007 0.000 2.383 161 V HA 0.600 4.720 4.120 -0.000 0.000 0.275 161 V C 0.217 176.314 176.094 0.005 0.000 1.036 161 V CA -0.410 61.881 62.300 -0.015 0.000 0.889 161 V CB 1.037 32.840 31.823 -0.033 0.000 0.985 161 V HN 1.059 nan 8.190 nan 0.000 0.459 162 R N 3.331 123.833 120.500 0.004 0.000 2.707 162 R HA 0.696 5.036 4.340 -0.000 0.000 0.272 162 R C -0.919 175.370 176.300 -0.018 0.000 1.011 162 R CA -0.830 55.282 56.100 0.019 0.000 0.893 162 R CB 1.815 32.148 30.300 0.055 0.000 1.233 162 R HN 0.159 nan 8.270 nan 0.000 0.464 163 V N -0.147 119.749 119.914 -0.029 0.000 2.492 163 V HA 0.150 4.270 4.120 -0.000 0.000 0.241 163 V C -0.090 175.852 176.094 -0.254 0.000 1.041 163 V CA 0.576 62.769 62.300 -0.178 0.000 1.057 163 V CB -0.136 31.547 31.823 -0.233 0.000 0.711 163 V HN 0.593 nan 8.190 nan 0.000 0.468 164 W N 0.782 122.093 121.300 0.019 0.000 2.314 164 W HA 0.491 5.151 4.660 -0.000 0.000 0.310 164 W C -0.557 175.986 176.519 0.040 0.000 1.075 164 W CA -0.420 56.949 57.345 0.040 0.000 1.253 164 W CB 0.821 30.314 29.460 0.055 0.000 1.238 164 W HN -0.035 nan 8.180 nan 0.000 0.440 165 D N 4.201 124.760 120.400 0.264 0.000 2.454 165 D HA 0.371 5.011 4.640 -0.000 0.000 0.225 165 D C -1.064 175.359 176.300 0.205 0.000 1.081 165 D CA -0.232 53.880 54.000 0.186 0.000 0.864 165 D CB 0.651 41.518 40.800 0.111 0.000 1.040 165 D HN 0.169 nan 8.370 nan 0.000 0.517 166 V N 1.259 121.286 119.914 0.189 0.000 3.007 166 V HA 0.492 4.612 4.120 -0.000 0.000 0.311 166 V C 1.203 177.364 176.094 0.112 0.000 1.120 166 V CA -1.007 61.386 62.300 0.154 0.000 0.980 166 V CB 2.020 33.931 31.823 0.147 0.000 1.033 166 V HN 0.311 nan 8.190 nan 0.000 0.429 167 K N 1.454 121.910 120.400 0.092 0.000 2.097 167 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 167 K C 0.576 177.225 176.600 0.082 0.000 1.050 167 K CA 1.689 58.028 56.287 0.086 0.000 0.938 167 K CB 0.091 32.634 32.500 0.073 0.000 0.718 167 K HN 0.857 nan 8.250 nan 0.000 0.442 168 N N -0.505 118.234 118.700 0.064 0.000 2.609 168 N HA 0.202 4.942 4.740 -0.000 0.000 0.268 168 N C -0.373 175.155 175.510 0.031 0.000 1.106 168 N CA -0.045 53.036 53.050 0.053 0.000 0.823 168 N CB 1.667 40.179 38.487 0.041 0.000 1.263 168 N HN 0.127 nan 8.380 nan 0.000 0.533 169 A N 2.611 125.455 122.820 0.040 0.000 2.125 169 A HA -0.068 4.251 4.320 -0.000 0.000 0.219 169 A C 1.518 179.100 177.584 -0.003 0.000 1.156 169 A CA 0.993 53.041 52.037 0.017 0.000 0.671 169 A CB -0.147 18.879 19.000 0.043 0.000 0.794 169 A HN 0.666 nan 8.150 nan 0.000 0.459 170 E N 0.253 120.460 120.200 0.012 0.000 2.268 170 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 170 E C 1.626 178.211 176.600 -0.025 0.000 0.995 170 E CA 0.591 56.993 56.400 0.003 0.000 0.836 170 E CB -0.367 29.342 29.700 0.015 0.000 0.763 170 E HN 0.728 nan 8.360 nan 0.000 0.491 171 L N 0.246 121.445 121.223 -0.039 0.000 2.551 171 L HA -0.053 4.287 4.340 -0.000 0.000 0.228 171 L C 2.119 178.918 176.870 -0.118 0.000 1.153 171 L CA 0.248 55.046 54.840 -0.070 0.000 0.851 171 L CB -0.338 41.683 42.059 -0.063 0.000 0.959 171 L HN 0.074 nan 8.230 nan 0.000 0.451 172 L N -0.850 120.301 121.223 -0.119 0.000 2.395 172 L HA -0.029 4.311 4.340 -0.000 0.000 0.218 172 L C 0.598 177.484 176.870 0.026 0.000 1.130 172 L CA 0.043 54.826 54.840 -0.096 0.000 0.826 172 L CB -0.466 41.506 42.059 -0.146 0.000 0.941 172 L HN 0.274 nan 8.230 nan 0.000 0.451 173 N N 1.995 120.690 118.700 -0.008 0.000 2.447 173 N HA -0.056 4.684 4.740 -0.000 0.000 0.263 173 N C 0.332 175.842 175.510 0.001 0.000 1.226 173 N CA 0.447 53.502 53.050 0.009 0.000 0.906 173 N CB 0.126 38.601 38.487 -0.021 0.000 1.060 173 N HN 0.142 nan 8.380 nan 0.000 0.468 174 N N 0.677 119.402 118.700 0.042 0.000 2.800 174 N HA -0.170 4.570 4.740 -0.000 0.000 0.250 174 N C -0.111 175.379 175.510 -0.033 0.000 1.078 174 N CA 0.498 53.561 53.050 0.022 0.000 0.804 174 N CB -0.540 37.943 38.487 -0.006 0.000 1.135 174 N HN 0.612 nan 8.380 nan 0.000 0.565 175 Q N -1.023 118.722 119.800 -0.092 0.000 2.360 175 Q HA 0.246 4.586 4.340 -0.000 0.000 0.202 175 Q C 0.846 176.502 176.000 -0.573 0.000 0.915 175 Q CA 0.470 56.038 55.803 -0.391 0.000 0.943 175 Q CB 0.033 28.390 28.738 -0.635 0.000 1.064 175 Q HN 0.530 nan 8.270 nan 0.000 0.511 176 F N -0.692 119.244 119.950 -0.024 0.000 2.729 176 F HA 0.333 4.860 4.527 -0.000 0.000 0.315 176 F C 1.319 177.099 175.800 -0.034 0.000 1.102 176 F CA -0.680 57.317 58.000 -0.005 0.000 1.204 176 F CB 0.496 39.504 39.000 0.013 0.000 1.052 176 F HN -0.133 nan 8.300 nan 0.000 0.551 177 G N 1.044 109.884 108.800 0.067 0.000 2.554 177 G HA2 0.352 4.312 3.960 -0.000 0.000 0.238 177 G HA3 0.352 4.312 3.960 -0.000 0.000 0.238 177 G C 0.125 175.009 174.900 -0.027 0.000 1.259 177 G CA -0.116 45.000 45.100 0.026 0.000 0.843 177 G HN 0.139 nan 8.290 nan 0.000 0.582 178 T N -0.761 113.787 114.554 -0.009 0.000 2.875 178 T HA 0.680 5.030 4.350 -0.000 0.000 0.284 178 T C 0.011 174.695 174.700 -0.026 0.000 0.995 178 T CA -0.702 61.372 62.100 -0.043 0.000 1.060 178 T CB 1.381 70.243 68.868 -0.010 0.000 0.967 178 T HN 0.366 nan 8.240 nan 0.000 0.476 179 M N 3.358 122.920 119.600 -0.064 0.000 2.263 179 M HA 0.323 4.803 4.480 -0.000 0.000 0.295 179 M C -2.182 174.100 176.300 -0.031 0.000 1.028 179 M CA -2.266 53.010 55.300 -0.040 0.000 0.921 179 M CB 2.660 35.218 32.600 -0.071 0.000 1.601 179 M HN 0.309 nan 8.290 nan 0.000 0.440 180 P HA -0.180 nan 4.420 nan 0.000 0.216 180 P C 1.327 178.624 177.300 -0.004 0.000 1.153 180 P CA 1.652 64.751 63.100 -0.001 0.000 0.858 180 P CB 0.109 31.809 31.700 0.000 0.000 0.789 181 S N -0.831 114.855 115.700 -0.022 0.000 2.382 181 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 181 S C 1.903 176.518 174.600 0.024 0.000 1.027 181 S CA 1.142 59.337 58.200 -0.007 0.000 0.991 181 S CB -1.600 61.582 63.200 -0.029 0.000 0.823 181 S HN 0.011 nan 8.310 nan 0.000 0.469 182 L N 2.135 123.355 121.223 -0.004 0.000 2.027 182 L HA 0.015 4.355 4.340 -0.000 0.000 0.206 182 L C 2.501 179.401 176.870 0.049 0.000 1.074 182 L CA 2.173 57.015 54.840 0.004 0.000 0.745 182 L CB -1.497 40.489 42.059 -0.122 0.000 0.898 182 L HN 0.302 nan 8.230 nan 0.000 0.433 183 T N 0.052 114.618 114.554 0.020 0.000 2.684 183 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 183 T C 1.800 176.594 174.700 0.155 0.000 1.036 183 T CA 1.914 64.064 62.100 0.083 0.000 1.148 183 T CB -0.480 68.422 68.868 0.056 0.000 0.863 183 T HN 0.325 nan 8.240 nan 0.000 0.436 184 L N 1.426 122.707 121.223 0.096 0.000 2.012 184 L HA 0.028 4.368 4.340 -0.000 0.000 0.210 184 L C 2.591 179.523 176.870 0.104 0.000 1.073 184 L CA 2.088 56.978 54.840 0.082 0.000 0.748 184 L CB -1.121 40.965 42.059 0.045 0.000 0.891 184 L HN 0.224 nan 8.230 nan 0.000 0.431 185 A N -1.348 121.555 122.820 0.139 0.000 1.902 185 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 185 A C 2.387 180.083 177.584 0.187 0.000 1.181 185 A CA 1.853 54.001 52.037 0.185 0.000 0.623 185 A CB -1.478 17.713 19.000 0.318 0.000 0.818 185 A HN 0.645 nan 8.150 nan 0.000 0.443 186 C N -0.997 118.501 119.300 0.330 0.000 2.446 186 C HA -0.010 4.450 4.460 -0.000 0.000 0.277 186 C C 2.636 177.826 174.990 0.334 0.000 1.275 186 C CA 0.903 60.174 59.018 0.422 0.000 1.727 186 C CB -1.520 26.492 27.740 0.455 0.000 2.010 186 C HN 0.634 nan 8.230 nan 0.000 0.486 187 L N 0.395 121.797 121.223 0.298 0.000 2.012 187 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 187 L C 2.746 179.593 176.870 -0.038 0.000 1.073 187 L CA 1.930 56.797 54.840 0.045 0.000 0.748 187 L CB -1.022 41.058 42.059 0.034 0.000 0.891 187 L HN 0.385 nan 8.230 nan 0.000 0.431 188 T N -0.784 113.755 114.554 -0.025 0.000 2.622 188 T HA -0.260 4.090 4.350 -0.000 0.000 0.266 188 T C 1.898 176.511 174.700 -0.145 0.000 1.047 188 T CA 1.827 63.882 62.100 -0.075 0.000 1.159 188 T CB -0.157 68.676 68.868 -0.058 0.000 0.863 188 T HN 0.081 nan 8.240 nan 0.000 0.422 189 K N 1.145 121.382 120.400 -0.272 0.000 2.001 189 K HA 0.002 4.322 4.320 -0.000 0.000 0.208 189 K C 2.375 178.833 176.600 -0.237 0.000 1.048 189 K CA 1.467 57.499 56.287 -0.424 0.000 0.932 189 K CB -0.297 31.510 32.500 -1.156 0.000 0.715 189 K HN 0.364 nan 8.250 nan 0.000 0.437 190 Q N -1.149 118.575 119.800 -0.126 0.000 2.245 190 Q HA 0.049 4.389 4.340 -0.000 0.000 0.201 190 Q C 1.886 177.854 176.000 -0.053 0.000 0.955 190 Q CA 1.144 56.945 55.803 -0.004 0.000 0.870 190 Q CB 0.108 28.958 28.738 0.187 0.000 0.945 190 Q HN 0.507 nan 8.270 nan 0.000 0.461 191 G N 0.085 108.823 108.800 -0.104 0.000 2.712 191 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.212 191 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.212 191 G C 0.155 175.003 174.900 -0.088 0.000 1.142 191 G CA -0.183 44.841 45.100 -0.127 0.000 0.789 191 G HN 0.318 nan 8.290 nan 0.000 0.535 192 Q N -1.058 118.693 119.800 -0.083 0.000 2.464 192 Q HA -0.154 4.186 4.340 -0.000 0.000 0.304 192 Q C -0.231 175.735 176.000 -0.056 0.000 1.401 192 Q CA 0.388 56.150 55.803 -0.068 0.000 0.806 192 Q CB -2.248 26.460 28.738 -0.051 0.000 1.134 192 Q HN 0.677 nan 8.270 nan 0.000 0.411 193 V N -4.191 115.688 119.914 -0.059 0.000 3.155 193 V HA 0.669 4.789 4.120 -0.000 0.000 0.313 193 V C -0.051 176.020 176.094 -0.039 0.000 1.162 193 V CA -1.178 61.097 62.300 -0.042 0.000 1.048 193 V CB 2.290 34.091 31.823 -0.036 0.000 1.092 193 V HN 0.057 nan 8.190 nan 0.000 0.447 194 D N 0.969 121.354 120.400 -0.024 0.000 2.341 194 D HA 0.232 4.872 4.640 -0.000 0.000 0.245 194 D C 0.929 177.220 176.300 -0.016 0.000 1.106 194 D CA -0.061 53.928 54.000 -0.018 0.000 0.905 194 D CB 1.731 42.525 40.800 -0.009 0.000 1.202 194 D HN 0.686 nan 8.370 nan 0.000 0.426 195 L N 3.494 124.709 121.223 -0.014 0.000 2.051 195 L HA -0.275 4.065 4.340 -0.000 0.000 0.214 195 L C 1.600 178.469 176.870 -0.002 0.000 1.076 195 L CA 1.948 56.784 54.840 -0.007 0.000 0.758 195 L CB -0.691 41.368 42.059 -0.000 0.000 0.890 195 L HN 0.409 nan 8.230 nan 0.000 0.433 196 N N -0.770 117.931 118.700 0.001 0.000 2.244 196 N HA -0.192 4.548 4.740 -0.000 0.000 0.183 196 N C 1.473 176.991 175.510 0.013 0.000 1.016 196 N CA 1.467 54.521 53.050 0.007 0.000 0.866 196 N CB -0.162 38.330 38.487 0.008 0.000 0.980 196 N HN 0.431 nan 8.380 nan 0.000 0.430 197 D N -0.026 120.382 120.400 0.014 0.000 2.104 197 D HA -0.107 4.532 4.640 -0.000 0.000 0.194 197 D C 1.845 178.160 176.300 0.023 0.000 0.994 197 D CA 1.524 55.543 54.000 0.031 0.000 0.830 197 D CB -0.694 40.118 40.800 0.020 0.000 0.959 197 D HN 0.411 nan 8.370 nan 0.000 0.452 198 A N 0.487 123.306 122.820 -0.001 0.000 1.902 198 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 198 A C 2.529 180.096 177.584 -0.028 0.000 1.181 198 A CA 1.391 53.418 52.037 -0.017 0.000 0.623 198 A CB -0.839 18.152 19.000 -0.014 0.000 0.818 198 A HN 0.148 nan 8.150 nan 0.000 0.443 199 V N 0.234 120.139 119.914 -0.016 0.000 2.287 199 V HA -0.286 3.833 4.120 -0.000 0.000 0.248 199 V C 2.774 178.845 176.094 -0.038 0.000 1.053 199 V CA 2.139 64.427 62.300 -0.020 0.000 1.027 199 V CB -0.777 31.042 31.823 -0.007 0.000 0.646 199 V HN 0.572 nan 8.190 nan 0.000 0.447 200 Q N -0.085 119.701 119.800 -0.023 0.000 2.084 200 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 200 Q C 2.426 178.307 176.000 -0.198 0.000 0.978 200 Q CA 1.915 57.700 55.803 -0.029 0.000 0.844 200 Q CB -0.846 27.932 28.738 0.067 0.000 0.898 200 Q HN 0.652 nan 8.270 nan 0.000 0.426 201 A N 0.981 123.630 122.820 -0.284 0.000 1.877 201 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 201 A C 2.267 179.630 177.584 -0.368 0.000 1.186 201 A CA 1.199 52.865 52.037 -0.618 0.000 0.620 201 A CB -0.737 18.097 19.000 -0.276 0.000 0.822 201 A HN 0.315 nan 8.150 nan 0.000 0.443 202 L N -0.852 120.259 121.223 -0.187 0.000 2.156 202 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 202 L C 2.724 179.534 176.870 -0.100 0.000 1.095 202 L CA 1.484 56.252 54.840 -0.119 0.000 0.770 202 L CB -0.716 41.305 42.059 -0.063 0.000 0.914 202 L HN 0.345 nan 8.230 nan 0.000 0.439 203 T N -0.878 113.618 114.554 -0.097 0.000 2.708 203 T HA -0.186 4.164 4.350 -0.000 0.000 0.266 203 T C 1.443 176.102 174.700 -0.068 0.000 1.037 203 T CA 1.515 63.580 62.100 -0.059 0.000 1.146 203 T CB -0.211 68.633 68.868 -0.040 0.000 0.865 203 T HN 0.297 nan 8.240 nan 0.000 0.435 204 D N 0.800 121.123 120.400 -0.129 0.000 2.144 204 D HA -0.040 4.600 4.640 -0.000 0.000 0.199 204 D C 2.006 178.258 176.300 -0.080 0.000 0.984 204 D CA 0.548 54.489 54.000 -0.099 0.000 0.834 204 D CB -0.374 40.351 40.800 -0.125 0.000 0.955 204 D HN 0.195 nan 8.370 nan 0.000 0.465 205 L N 0.719 121.874 121.223 -0.114 0.000 2.056 205 L HA 0.041 4.381 4.340 -0.000 0.000 0.207 205 L C 2.204 179.044 176.870 -0.050 0.000 1.078 205 L CA 1.905 56.686 54.840 -0.098 0.000 0.749 205 L CB -0.861 41.121 42.059 -0.128 0.000 0.901 205 L HN 0.036 nan 8.230 nan 0.000 0.433 206 G N -0.312 108.476 108.800 -0.019 0.000 2.440 206 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 206 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 206 G C 1.612 176.563 174.900 0.085 0.000 1.154 206 G CA 1.198 46.337 45.100 0.065 0.000 0.767 206 G HN 0.433 nan 8.290 nan 0.000 0.552 207 L N 0.315 121.558 121.223 0.034 0.000 2.046 207 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 207 L C 2.782 179.674 176.870 0.037 0.000 1.077 207 L CA 0.436 55.294 54.840 0.031 0.000 0.747 207 L CB -0.348 41.720 42.059 0.015 0.000 0.896 207 L HN 0.114 nan 8.230 nan 0.000 0.432 208 I N -0.910 119.673 120.570 0.021 0.000 2.286 208 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 208 I C 2.446 178.586 176.117 0.038 0.000 1.115 208 I CA 1.539 62.842 61.300 0.005 0.000 1.392 208 I CB -1.364 36.615 38.000 -0.035 0.000 1.065 208 I HN 0.260 nan 8.210 nan 0.000 0.418 209 Y N 2.544 122.785 120.300 -0.099 0.000 2.403 209 Y HA -0.232 4.317 4.550 -0.000 0.000 0.291 209 Y C 2.741 178.704 175.900 0.104 0.000 1.143 209 Y CA 1.523 59.581 58.100 -0.070 0.000 1.257 209 Y CB -0.766 37.649 38.460 -0.075 0.000 0.984 209 Y HN 0.398 nan 8.280 nan 0.000 0.550 210 T N -2.893 111.710 114.554 0.081 0.000 2.915 210 T HA -0.037 4.313 4.350 -0.000 0.000 0.269 210 T C 1.848 176.638 174.700 0.150 0.000 1.071 210 T CA 1.146 63.274 62.100 0.047 0.000 1.132 210 T CB -0.442 68.444 68.868 0.030 0.000 0.878 210 T HN 0.276 nan 8.240 nan 0.000 0.479 211 A N 1.303 124.204 122.820 0.135 0.000 2.127 211 A HA 0.505 4.825 4.320 -0.000 0.000 0.204 211 A C 0.814 178.408 177.584 0.018 0.000 1.243 211 A CA 0.327 52.443 52.037 0.131 0.000 0.887 211 A CB 0.347 19.377 19.000 0.051 0.000 0.933 211 A HN 0.761 nan 8.150 nan 0.000 0.479 212 K N -2.721 117.469 120.400 -0.350 0.000 2.617 212 K HA 0.411 4.730 4.320 -0.000 0.000 0.293 212 K C -1.511 174.531 176.600 -0.929 0.000 1.034 212 K CA -0.800 54.886 56.287 -1.002 0.000 0.884 212 K CB 0.649 32.908 32.500 -0.401 0.000 1.541 212 K HN -0.050 nan 8.250 nan 0.000 0.409 213 Y N 2.091 121.815 120.300 -0.960 0.000 2.393 213 Y HA 0.280 4.829 4.550 -0.000 0.000 0.338 213 Y C -2.173 173.619 175.900 -0.180 0.000 1.029 213 Y CA -1.529 56.389 58.100 -0.302 0.000 1.239 213 Y CB 0.958 39.354 38.460 -0.106 0.000 1.170 213 Y HN 0.428 nan 8.280 nan 0.000 0.515 214 P HA -0.018 nan 4.420 nan 0.000 0.261 214 P C -1.195 176.076 177.300 -0.049 0.000 1.183 214 P CA 0.295 63.254 63.100 -0.236 0.000 0.761 214 P CB 0.398 31.901 31.700 -0.330 0.000 0.785 215 N N 0.381 119.078 118.700 -0.006 0.000 2.563 215 N HA 0.215 4.954 4.740 -0.000 0.000 0.288 215 N C 1.017 176.534 175.510 0.011 0.000 1.246 215 N CA -0.589 52.485 53.050 0.039 0.000 0.946 215 N CB -0.764 37.746 38.487 0.038 0.000 1.213 215 N HN 0.281 nan 8.380 nan 0.000 0.578 216 T N -2.974 111.592 114.554 0.019 0.000 2.759 216 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 216 T C 1.698 176.399 174.700 0.002 0.000 1.042 216 T CA 1.907 64.014 62.100 0.011 0.000 1.140 216 T CB -1.026 67.850 68.868 0.014 0.000 0.864 216 T HN 0.624 nan 8.240 nan 0.000 0.455 217 S N 2.012 117.713 115.700 0.001 0.000 2.368 217 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 217 S C 1.735 176.332 174.600 -0.006 0.000 1.029 217 S CA 1.108 59.307 58.200 -0.002 0.000 0.988 217 S CB -0.604 62.595 63.200 -0.001 0.000 0.838 217 S HN 0.482 nan 8.310 nan 0.000 0.462 218 D N 1.683 122.076 120.400 -0.012 0.000 2.097 218 D HA -0.042 4.598 4.640 -0.000 0.000 0.195 218 D C 1.955 178.244 176.300 -0.018 0.000 0.989 218 D CA 1.019 55.007 54.000 -0.020 0.000 0.827 218 D CB -0.552 40.224 40.800 -0.040 0.000 0.966 218 D HN 0.347 nan 8.370 nan 0.000 0.456 219 L N 1.359 122.569 121.223 -0.022 0.000 2.046 219 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 219 L C 1.548 178.416 176.870 -0.004 0.000 1.077 219 L CA 1.743 56.572 54.840 -0.019 0.000 0.747 219 L CB -0.384 41.662 42.059 -0.021 0.000 0.896 219 L HN -0.177 nan 8.230 nan 0.000 0.432 220 D N -0.691 119.708 120.400 -0.002 0.000 2.116 220 D HA -0.181 4.459 4.640 -0.000 0.000 0.193 220 D C 2.284 178.587 176.300 0.005 0.000 0.998 220 D CA 0.985 54.985 54.000 0.001 0.000 0.836 220 D CB -0.132 40.667 40.800 -0.000 0.000 0.951 220 D HN 0.218 nan 8.370 nan 0.000 0.449 221 R N 0.272 120.775 120.500 0.005 0.000 2.073 221 R HA -0.041 4.299 4.340 -0.000 0.000 0.234 221 R C 2.620 178.935 176.300 0.025 0.000 1.134 221 R CA 0.451 56.556 56.100 0.009 0.000 0.952 221 R CB -1.079 29.224 30.300 0.005 0.000 0.850 221 R HN 0.325 nan 8.270 nan 0.000 0.433 222 L N 0.264 121.511 121.223 0.039 0.000 2.083 222 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 222 L C 2.203 179.151 176.870 0.129 0.000 1.083 222 L CA 1.426 56.327 54.840 0.101 0.000 0.752 222 L CB -0.693 41.404 42.059 0.064 0.000 0.899 222 L HN 0.173 nan 8.230 nan 0.000 0.433 223 T N -0.989 113.601 114.554 0.061 0.000 2.929 223 T HA -0.185 4.165 4.350 -0.000 0.000 0.271 223 T C 1.853 176.564 174.700 0.020 0.000 1.085 223 T CA 0.935 63.063 62.100 0.047 0.000 1.125 223 T CB -0.119 68.758 68.868 0.015 0.000 0.874 223 T HN 0.405 nan 8.240 nan 0.000 0.494 224 Q N 1.055 120.857 119.800 0.004 0.000 2.135 224 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 224 Q C 2.539 178.500 176.000 -0.065 0.000 0.981 224 Q CA 1.748 57.536 55.803 -0.025 0.000 0.856 224 Q CB -0.189 28.536 28.738 -0.022 0.000 0.902 224 Q HN 0.667 nan 8.270 nan 0.000 0.425 225 S N -1.066 114.566 115.700 -0.114 0.000 2.524 225 S HA 0.034 4.504 4.470 -0.000 0.000 0.215 225 S C 0.439 174.753 174.600 -0.477 0.000 0.986 225 S CA -0.377 57.651 58.200 -0.286 0.000 0.911 225 S CB 0.286 63.277 63.200 -0.348 0.000 0.805 225 S HN 0.277 nan 8.310 nan 0.000 0.501 226 H N 1.605 120.660 119.070 -0.026 0.000 2.569 226 H HA 0.322 4.877 4.556 -0.000 0.000 0.247 226 H C -2.412 172.893 175.328 -0.038 0.000 1.346 226 H CA -1.654 54.376 56.048 -0.031 0.000 1.502 226 H CB 1.223 30.966 29.762 -0.030 0.000 1.512 226 H HN 0.208 nan 8.280 nan 0.000 0.502 227 P HA -0.168 nan 4.420 nan 0.000 0.217 227 P C 1.775 179.068 177.300 -0.012 0.000 1.148 227 P CA 0.535 63.635 63.100 -0.001 0.000 0.828 227 P CB 0.484 32.173 31.700 -0.019 0.000 0.783 228 I N -0.571 119.997 120.570 -0.004 0.000 2.315 228 I HA -0.210 3.960 4.170 -0.000 0.000 0.251 228 I C 1.962 178.037 176.117 -0.071 0.000 1.125 228 I CA 1.322 62.594 61.300 -0.047 0.000 1.392 228 I CB -0.925 37.052 38.000 -0.039 0.000 1.065 228 I HN -0.150 nan 8.210 nan 0.000 0.424 229 L N 0.136 121.341 121.223 -0.029 0.000 2.456 229 L HA -0.134 4.206 4.340 -0.000 0.000 0.224 229 L C 1.914 178.755 176.870 -0.047 0.000 1.148 229 L CA 0.472 55.288 54.840 -0.040 0.000 0.825 229 L CB -0.904 41.147 42.059 -0.013 0.000 0.937 229 L HN 0.289 nan 8.230 nan 0.000 0.450 230 N N 0.304 118.976 118.700 -0.047 0.000 2.430 230 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 230 N C 1.705 177.170 175.510 -0.075 0.000 1.032 230 N CA 1.137 54.159 53.050 -0.047 0.000 0.893 230 N CB -0.019 38.443 38.487 -0.042 0.000 0.957 230 N HN 0.469 nan 8.380 nan 0.000 0.442 231 M N 0.127 119.644 119.600 -0.139 0.000 2.476 231 M HA 0.031 4.511 4.480 -0.000 0.000 0.262 231 M C 0.355 176.580 176.300 -0.124 0.000 1.079 231 M CA 0.583 55.745 55.300 -0.230 0.000 1.104 231 M CB 0.047 32.336 32.600 -0.518 0.000 1.409 231 M HN -0.061 nan 8.290 nan 0.000 0.467 232 I N 1.152 121.691 120.570 -0.051 0.000 2.416 232 I HA 0.026 4.196 4.170 -0.000 0.000 0.288 232 I C 0.083 176.229 176.117 0.048 0.000 1.051 232 I CA -0.349 60.975 61.300 0.041 0.000 1.375 232 I CB 0.394 38.411 38.000 0.028 0.000 1.407 232 I HN -0.090 nan 8.210 nan 0.000 0.516 233 D N 4.590 125.040 120.400 0.084 0.000 2.280 233 D HA 0.108 4.747 4.640 -0.000 0.000 0.243 233 D C 1.067 177.401 176.300 0.057 0.000 1.129 233 D CA -0.263 53.775 54.000 0.064 0.000 0.848 233 D CB 1.441 42.286 40.800 0.075 0.000 1.107 233 D HN 0.664 nan 8.370 nan 0.000 0.471 234 T N 0.658 115.236 114.554 0.041 0.000 3.057 234 T HA -0.060 4.289 4.350 -0.000 0.000 0.254 234 T C 1.592 176.315 174.700 0.038 0.000 1.094 234 T CA 0.540 62.664 62.100 0.041 0.000 1.088 234 T CB 0.007 68.894 68.868 0.031 0.000 0.934 234 T HN 0.488 nan 8.240 nan 0.000 0.497 235 K N 1.386 121.805 120.400 0.032 0.000 2.062 235 K HA 0.051 4.371 4.320 -0.000 0.000 0.205 235 K C 0.670 177.285 176.600 0.026 0.000 1.051 235 K CA 0.449 56.751 56.287 0.025 0.000 0.941 235 K CB -0.211 32.301 32.500 0.020 0.000 0.719 235 K HN 0.053 nan 8.250 nan 0.000 0.440 236 K N 2.743 123.162 120.400 0.033 0.000 2.451 236 K HA 0.008 4.328 4.320 -0.000 0.000 0.280 236 K C 0.440 177.059 176.600 0.032 0.000 1.020 236 K CA 0.368 56.674 56.287 0.033 0.000 1.008 236 K CB 1.230 33.757 32.500 0.045 0.000 0.917 236 K HN 0.459 nan 8.250 nan 0.000 0.478 237 S N 0.549 116.261 115.700 0.021 0.000 2.652 237 S HA 0.063 4.533 4.470 -0.000 0.000 0.267 237 S C 1.203 175.815 174.600 0.019 0.000 1.201 237 S CA -0.050 58.158 58.200 0.014 0.000 0.996 237 S CB 0.882 64.082 63.200 0.001 0.000 1.054 237 S HN 0.546 nan 8.310 nan 0.000 0.561 238 S N -0.277 115.431 115.700 0.013 0.000 2.607 238 S HA 0.219 4.689 4.470 -0.000 0.000 0.224 238 S C 0.394 174.996 174.600 0.002 0.000 0.969 238 S CA -0.349 57.861 58.200 0.016 0.000 0.927 238 S CB -0.945 62.264 63.200 0.014 0.000 0.772 238 S HN 0.561 nan 8.310 nan 0.000 0.533 239 L N 1.908 123.127 121.223 -0.007 0.000 2.325 239 L HA 0.434 4.774 4.340 -0.000 0.000 0.279 239 L C 0.575 177.429 176.870 -0.026 0.000 1.054 239 L CA -0.696 54.129 54.840 -0.026 0.000 0.804 239 L CB 0.400 42.444 42.059 -0.026 0.000 1.200 239 L HN 0.159 nan 8.230 nan 0.000 0.436 240 N N 2.193 120.857 118.700 -0.061 0.000 2.727 240 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 240 N C -0.969 174.545 175.510 0.007 0.000 1.048 240 N CA 1.075 54.090 53.050 -0.058 0.000 0.714 240 N CB -0.823 37.640 38.487 -0.040 0.000 0.959 240 N HN 0.647 nan 8.380 nan 0.000 0.544 241 I N -4.313 116.280 120.570 0.039 0.000 3.264 241 I HA 0.789 4.959 4.170 -0.000 0.000 0.315 241 I C 0.263 176.543 176.117 0.273 0.000 1.154 241 I CA -0.698 60.679 61.300 0.129 0.000 0.962 241 I CB 2.132 40.181 38.000 0.082 0.000 1.265 241 I HN 0.128 nan 8.210 nan 0.000 0.463 242 S N 0.233 116.096 115.700 0.270 0.000 2.810 242 S HA 0.601 5.071 4.470 -0.000 0.000 0.315 242 S C 0.777 175.404 174.600 0.045 0.000 1.138 242 S CA -0.174 58.196 58.200 0.284 0.000 0.889 242 S CB 1.010 64.430 63.200 0.366 0.000 1.236 242 S HN 1.048 nan 8.310 nan 0.000 0.548 243 G N -0.786 107.930 108.800 -0.140 0.000 2.598 243 G HA2 0.021 3.981 3.960 -0.000 0.000 0.215 243 G HA3 0.021 3.981 3.960 -0.000 0.000 0.215 243 G C 0.361 174.934 174.900 -0.546 0.000 1.131 243 G CA 0.303 45.185 45.100 -0.364 0.000 0.785 243 G HN 0.703 nan 8.290 nan 0.000 0.539 244 Y N 0.316 120.545 120.300 -0.119 0.000 2.466 244 Y HA 0.229 4.779 4.550 -0.000 0.000 0.272 244 Y C 0.816 176.486 175.900 -0.383 0.000 1.169 244 Y CA -0.688 57.286 58.100 -0.210 0.000 1.285 244 Y CB -0.183 38.207 38.460 -0.116 0.000 1.078 244 Y HN 0.104 nan 8.280 nan 0.000 0.523 245 N N -0.458 118.113 118.700 -0.215 0.000 2.487 245 N HA 0.248 4.987 4.740 -0.000 0.000 0.292 245 N C -1.192 174.121 175.510 -0.329 0.000 1.108 245 N CA -0.624 52.282 53.050 -0.241 0.000 0.956 245 N CB 0.566 39.040 38.487 -0.021 0.000 1.176 245 N HN -0.106 nan 8.380 nan 0.000 0.484 246 F N 0.964 120.953 119.950 0.065 0.000 2.752 246 F HA 0.186 4.713 4.527 -0.000 0.000 0.332 246 F C 0.884 176.704 175.800 0.033 0.000 1.188 246 F CA -0.814 57.212 58.000 0.043 0.000 1.296 246 F CB -0.881 38.144 39.000 0.041 0.000 1.526 246 F HN 0.315 nan 8.300 nan 0.000 0.576 247 S N -0.272 115.508 115.700 0.133 0.000 2.593 247 S HA 0.127 4.597 4.470 -0.000 0.000 0.269 247 S C 1.259 175.916 174.600 0.094 0.000 1.334 247 S CA -0.788 57.472 58.200 0.102 0.000 1.015 247 S CB 1.186 64.427 63.200 0.068 0.000 0.912 247 S HN 0.419 nan 8.310 nan 0.000 0.541 248 L N 2.720 123.990 121.223 0.078 0.000 2.046 248 L HA 0.125 4.465 4.340 -0.000 0.000 0.208 248 L C 2.378 179.274 176.870 0.044 0.000 1.077 248 L CA 2.424 57.297 54.840 0.054 0.000 0.747 248 L CB -1.651 40.450 42.059 0.071 0.000 0.896 248 L HN 0.998 nan 8.230 nan 0.000 0.432 249 G N -0.936 107.916 108.800 0.088 0.000 2.476 249 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.218 249 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.218 249 G C 1.617 176.544 174.900 0.045 0.000 1.164 249 G CA 1.076 46.233 45.100 0.095 0.000 0.768 249 G HN 0.656 nan 8.290 nan 0.000 0.560 250 A N 1.085 123.932 122.820 0.044 0.000 1.902 250 A HA 0.245 4.565 4.320 -0.000 0.000 0.217 250 A C 2.840 180.437 177.584 0.021 0.000 1.181 250 A CA 2.423 54.480 52.037 0.033 0.000 0.623 250 A CB -0.834 18.183 19.000 0.027 0.000 0.818 250 A HN 0.864 nan 8.150 nan 0.000 0.443 251 A N -0.683 122.149 122.820 0.021 0.000 1.902 251 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 251 A C 2.229 179.765 177.584 -0.081 0.000 1.181 251 A CA 1.763 53.796 52.037 -0.007 0.000 0.623 251 A CB -0.921 18.078 19.000 -0.002 0.000 0.818 251 A HN 0.391 nan 8.150 nan 0.000 0.443 252 V N 0.379 120.197 119.914 -0.160 0.000 2.407 252 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 252 V C 2.547 178.501 176.094 -0.234 0.000 1.055 252 V CA 2.333 64.430 62.300 -0.339 0.000 1.049 252 V CB -0.620 30.814 31.823 -0.648 0.000 0.662 252 V HN 0.707 nan 8.190 nan 0.000 0.455 253 K N 0.359 120.698 120.400 -0.102 0.000 2.057 253 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 253 K C 2.153 178.767 176.600 0.023 0.000 1.049 253 K CA 1.587 57.879 56.287 0.009 0.000 0.931 253 K CB -0.276 32.266 32.500 0.070 0.000 0.714 253 K HN 0.421 nan 8.250 nan 0.000 0.440 254 A N 0.758 123.580 122.820 0.004 0.000 1.898 254 A HA -0.025 4.294 4.320 -0.000 0.000 0.216 254 A C 2.376 179.962 177.584 0.003 0.000 1.181 254 A CA 1.697 53.739 52.037 0.008 0.000 0.620 254 A CB -1.130 17.876 19.000 0.011 0.000 0.819 254 A HN 0.541 nan 8.150 nan 0.000 0.442 255 G N -0.385 108.405 108.800 -0.017 0.000 2.422 255 G HA2 0.003 3.963 3.960 -0.000 0.000 0.218 255 G HA3 0.003 3.963 3.960 -0.000 0.000 0.218 255 G C 1.699 176.625 174.900 0.043 0.000 1.146 255 G CA 1.342 46.436 45.100 -0.011 0.000 0.769 255 G HN 0.817 nan 8.290 nan 0.000 0.547 256 A N -0.207 122.670 122.820 0.094 0.000 2.032 256 A HA -0.102 4.218 4.320 -0.000 0.000 0.221 256 A C 2.351 179.985 177.584 0.083 0.000 1.165 256 A CA 1.739 53.875 52.037 0.164 0.000 0.645 256 A CB -0.767 18.396 19.000 0.271 0.000 0.807 256 A HN 0.437 nan 8.150 nan 0.000 0.453 257 C N -0.842 118.490 119.300 0.053 0.000 2.618 257 C HA 0.171 4.631 4.460 -0.000 0.000 0.264 257 C C 2.279 177.280 174.990 0.019 0.000 1.334 257 C CA 0.225 59.262 59.018 0.031 0.000 1.731 257 C CB -0.856 26.893 27.740 0.016 0.000 1.852 257 C HN 0.557 nan 8.230 nan 0.000 0.566 258 M N 0.448 120.059 119.600 0.018 0.000 2.556 258 M HA 0.228 4.708 4.480 -0.000 0.000 0.245 258 M C 0.590 176.898 176.300 0.012 0.000 1.128 258 M CA 0.756 56.061 55.300 0.008 0.000 1.069 258 M CB -0.737 31.862 32.600 -0.002 0.000 1.469 258 M HN 0.286 nan 8.290 nan 0.000 0.494 259 L N 0.441 121.676 121.223 0.020 0.000 2.421 259 L HA 0.240 4.580 4.340 -0.000 0.000 0.263 259 L C -0.257 176.623 176.870 0.018 0.000 1.122 259 L CA -0.560 54.291 54.840 0.019 0.000 0.804 259 L CB 0.506 42.580 42.059 0.024 0.000 1.150 259 L HN -0.023 nan 8.230 nan 0.000 0.457 260 D N 1.682 122.091 120.400 0.015 0.000 2.427 260 D HA 0.496 5.136 4.640 -0.000 0.000 0.226 260 D C 0.488 176.795 176.300 0.013 0.000 1.076 260 D CA 0.407 54.416 54.000 0.015 0.000 0.849 260 D CB 1.446 42.254 40.800 0.013 0.000 1.052 260 D HN 0.782 nan 8.370 nan 0.000 0.515 261 G N 1.340 110.148 108.800 0.014 0.000 2.681 261 G HA2 0.207 4.167 3.960 -0.000 0.000 0.220 261 G HA3 0.207 4.167 3.960 -0.000 0.000 0.220 261 G C 0.694 175.598 174.900 0.006 0.000 1.353 261 G CA 0.090 45.195 45.100 0.009 0.000 0.872 261 G HN 1.310 nan 8.290 nan 0.000 0.557 262 G N -1.329 107.470 108.800 -0.002 0.000 2.176 262 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.232 262 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.232 262 G C 0.641 175.524 174.900 -0.029 0.000 0.986 262 G CA 0.969 46.061 45.100 -0.013 0.000 0.643 262 G HN 2.503 nan 8.290 nan 0.000 0.522 263 N N -0.873 117.816 118.700 -0.018 0.000 2.727 263 N HA -0.146 4.594 4.740 -0.000 0.000 0.249 263 N C 0.411 175.894 175.510 -0.044 0.000 1.048 263 N CA 1.576 54.614 53.050 -0.021 0.000 0.714 263 N CB -0.890 37.580 38.487 -0.028 0.000 0.959 263 N HN 0.524 nan 8.380 nan 0.000 0.544 264 M N 0.855 120.432 119.600 -0.038 0.000 2.227 264 M HA 0.105 4.584 4.480 -0.000 0.000 0.349 264 M C 1.863 178.121 176.300 -0.071 0.000 1.443 264 M CA -0.007 55.254 55.300 -0.064 0.000 1.110 264 M CB 0.185 32.779 32.600 -0.012 0.000 1.773 264 M HN 0.190 nan 8.290 nan 0.000 0.463 265 L N 2.111 123.249 121.223 -0.141 0.000 2.189 265 L HA -0.239 4.101 4.340 -0.000 0.000 0.214 265 L C 1.540 178.179 176.870 -0.386 0.000 1.097 265 L CA 1.163 55.875 54.840 -0.213 0.000 0.764 265 L CB -0.415 41.469 42.059 -0.291 0.000 0.900 265 L HN 0.633 nan 8.230 nan 0.000 0.436 266 E N -0.419 119.544 120.200 -0.395 0.000 2.265 266 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 266 E C 1.987 178.614 176.600 0.045 0.000 0.996 266 E CA 1.584 57.818 56.400 -0.277 0.000 0.832 266 E CB -0.234 29.426 29.700 -0.067 0.000 0.756 266 E HN 0.522 nan 8.360 nan 0.000 0.491 267 T N -1.932 112.661 114.554 0.066 0.000 3.107 267 T HA 0.178 4.528 4.350 -0.000 0.000 0.249 267 T C 0.734 175.588 174.700 0.257 0.000 1.096 267 T CA -0.277 61.924 62.100 0.168 0.000 1.012 267 T CB -0.266 68.673 68.868 0.117 0.000 0.977 267 T HN -0.050 nan 8.240 nan 0.000 0.527 268 I N 2.010 122.716 120.570 0.227 0.000 2.648 268 I HA 0.180 4.350 4.170 -0.000 0.000 0.284 268 I C 0.485 176.724 176.117 0.203 0.000 1.153 268 I CA -0.069 61.360 61.300 0.215 0.000 1.426 268 I CB 0.681 38.801 38.000 0.200 0.000 1.381 268 I HN 0.131 nan 8.210 nan 0.000 0.571 269 K N 5.578 126.014 120.400 0.059 0.000 2.182 269 K HA 0.547 4.866 4.320 -0.000 0.000 0.262 269 K C -1.249 175.248 176.600 -0.172 0.000 0.957 269 K CA -0.587 55.556 56.287 -0.240 0.000 0.842 269 K CB 2.071 34.294 32.500 -0.463 0.000 1.099 269 K HN 0.381 nan 8.250 nan 0.000 0.438 270 V N 3.171 122.948 119.914 -0.229 0.000 2.547 270 V HA 0.593 4.713 4.120 -0.000 0.000 0.299 270 V C -0.825 175.149 176.094 -0.199 0.000 1.040 270 V CA -0.064 62.128 62.300 -0.180 0.000 0.913 270 V CB 1.657 33.393 31.823 -0.144 0.000 0.992 270 V HN 0.985 nan 8.190 nan 0.000 0.449 271 S N 5.199 120.814 115.700 -0.143 0.000 2.661 271 S HA 0.672 5.142 4.470 -0.000 0.000 0.285 271 S C -2.470 172.077 174.600 -0.088 0.000 1.138 271 S CA -1.287 56.840 58.200 -0.122 0.000 0.855 271 S CB 1.981 65.120 63.200 -0.101 0.000 1.136 271 S HN 0.461 nan 8.310 nan 0.000 0.484 272 P HA -0.041 nan 4.420 nan 0.000 0.219 272 P C 1.241 178.516 177.300 -0.042 0.000 1.146 272 P CA 1.062 64.128 63.100 -0.057 0.000 0.808 272 P CB 0.088 31.759 31.700 -0.048 0.000 0.779 273 Q N -1.258 118.522 119.800 -0.033 0.000 2.245 273 Q HA -0.030 4.309 4.340 -0.000 0.000 0.201 273 Q C 1.781 177.782 176.000 0.003 0.000 0.955 273 Q CA 1.810 57.606 55.803 -0.012 0.000 0.870 273 Q CB -1.029 27.707 28.738 -0.003 0.000 0.945 273 Q HN 0.383 nan 8.270 nan 0.000 0.461 274 T N -3.384 111.164 114.554 -0.011 0.000 3.001 274 T HA 0.178 4.528 4.350 -0.000 0.000 0.251 274 T C 1.704 176.341 174.700 -0.105 0.000 1.040 274 T CA -0.052 62.051 62.100 0.004 0.000 0.985 274 T CB 0.061 68.965 68.868 0.061 0.000 1.011 274 T HN 0.020 nan 8.240 nan 0.000 0.509 275 M N 1.889 121.430 119.600 -0.099 0.000 2.080 275 M HA -0.148 4.331 4.480 -0.000 0.000 0.260 275 M C 1.261 177.498 176.300 -0.105 0.000 1.068 275 M CA 2.153 57.381 55.300 -0.120 0.000 1.109 275 M CB -0.274 32.271 32.600 -0.092 0.000 1.342 275 M HN 0.050 nan 8.290 nan 0.000 0.405 276 D N -0.057 120.305 120.400 -0.063 0.000 2.144 276 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 276 D C 1.888 178.166 176.300 -0.037 0.000 0.984 276 D CA 1.605 55.581 54.000 -0.041 0.000 0.834 276 D CB -0.665 40.123 40.800 -0.020 0.000 0.955 276 D HN 0.601 nan 8.370 nan 0.000 0.465 277 G N 0.424 109.208 108.800 -0.027 0.000 2.403 277 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.216 277 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.216 277 G C 1.745 176.615 174.900 -0.051 0.000 1.154 277 G CA 0.216 45.333 45.100 0.028 0.000 0.784 277 G HN 0.249 nan 8.290 nan 0.000 0.538 278 I N 0.471 120.864 120.570 -0.295 0.000 2.127 278 I HA -0.189 3.981 4.170 -0.000 0.000 0.241 278 I C 2.722 178.754 176.117 -0.142 0.000 1.075 278 I CA 0.893 61.952 61.300 -0.402 0.000 1.334 278 I CB -0.261 37.422 38.000 -0.529 0.000 1.040 278 I HN 0.122 nan 8.210 nan 0.000 0.405 279 L N 0.373 121.539 121.223 -0.095 0.000 2.046 279 L HA -0.235 4.104 4.340 -0.000 0.000 0.208 279 L C 2.599 179.465 176.870 -0.007 0.000 1.077 279 L CA 1.264 56.086 54.840 -0.030 0.000 0.747 279 L CB -0.593 41.452 42.059 -0.023 0.000 0.896 279 L HN 0.175 nan 8.230 nan 0.000 0.432 280 K N 0.171 120.565 120.400 -0.010 0.000 2.063 280 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 280 K C 2.198 178.802 176.600 0.007 0.000 1.048 280 K CA 1.819 58.108 56.287 0.003 0.000 0.928 280 K CB -0.292 32.216 32.500 0.013 0.000 0.713 280 K HN 0.061 nan 8.250 nan 0.000 0.442 281 S N 0.237 115.950 115.700 0.022 0.000 2.368 281 S HA -0.061 4.409 4.470 -0.000 0.000 0.225 281 S C 1.875 176.477 174.600 0.003 0.000 1.030 281 S CA 1.428 59.649 58.200 0.035 0.000 0.999 281 S CB -0.314 62.945 63.200 0.097 0.000 0.844 281 S HN 0.286 nan 8.310 nan 0.000 0.459 282 I N 1.286 121.858 120.570 0.004 0.000 2.226 282 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 282 I C 1.959 178.034 176.117 -0.070 0.000 1.100 282 I CA 1.050 62.351 61.300 0.001 0.000 1.374 282 I CB -0.283 37.766 38.000 0.081 0.000 1.057 282 I HN 0.241 nan 8.210 nan 0.000 0.413 283 L N 0.424 121.619 121.223 -0.046 0.000 2.141 283 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 283 L C 2.551 179.356 176.870 -0.107 0.000 1.094 283 L CA 1.154 55.944 54.840 -0.082 0.000 0.763 283 L CB -0.495 41.546 42.059 -0.030 0.000 0.908 283 L HN 0.226 nan 8.230 nan 0.000 0.437 284 K N 0.249 120.604 120.400 -0.074 0.000 2.026 284 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 284 K C 1.944 178.479 176.600 -0.108 0.000 1.048 284 K CA 1.560 57.805 56.287 -0.070 0.000 0.929 284 K CB -0.038 32.440 32.500 -0.037 0.000 0.713 284 K HN 0.045 nan 8.250 nan 0.000 0.439 285 V N 1.620 121.457 119.914 -0.129 0.000 2.358 285 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 285 V C 2.416 178.329 176.094 -0.300 0.000 1.047 285 V CA 1.952 64.144 62.300 -0.180 0.000 1.035 285 V CB -0.556 31.174 31.823 -0.156 0.000 0.658 285 V HN 0.414 nan 8.190 nan 0.000 0.452 286 K N 0.421 120.590 120.400 -0.385 0.000 2.059 286 K HA -0.303 4.017 4.320 -0.000 0.000 0.212 286 K C 2.340 178.738 176.600 -0.337 0.000 1.050 286 K CA 2.238 58.211 56.287 -0.524 0.000 0.927 286 K CB -0.190 31.970 32.500 -0.568 0.000 0.714 286 K HN 0.388 nan 8.250 nan 0.000 0.447 287 K N -0.294 119.977 120.400 -0.215 0.000 2.057 287 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 287 K C 2.004 178.532 176.600 -0.120 0.000 1.050 287 K CA 1.054 57.258 56.287 -0.138 0.000 0.935 287 K CB -0.119 32.325 32.500 -0.093 0.000 0.715 287 K HN 0.226 nan 8.250 nan 0.000 0.439 288 A N 0.991 123.735 122.820 -0.127 0.000 1.902 288 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 288 A C 1.898 179.427 177.584 -0.092 0.000 1.181 288 A CA 1.332 53.312 52.037 -0.093 0.000 0.623 288 A CB -0.343 18.605 19.000 -0.087 0.000 0.818 288 A HN 0.329 nan 8.150 nan 0.000 0.443 289 L N -1.774 119.353 121.223 -0.159 0.000 2.616 289 L HA 0.272 4.611 4.340 -0.000 0.000 0.229 289 L C 1.409 178.207 176.870 -0.119 0.000 1.110 289 L CA 0.377 55.135 54.840 -0.138 0.000 0.884 289 L CB 0.008 41.914 42.059 -0.256 0.000 1.115 289 L HN 0.559 nan 8.230 nan 0.000 0.481 290 G N 1.378 110.083 108.800 -0.159 0.000 2.272 290 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.280 290 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.280 290 G C 0.283 175.100 174.900 -0.137 0.000 1.067 290 G CA -0.009 45.045 45.100 -0.078 0.000 0.902 290 G HN 0.212 nan 8.290 nan 0.000 0.500 291 M N -0.965 118.257 119.600 -0.629 0.000 2.240 291 M HA 0.540 5.020 4.480 -0.000 0.000 0.317 291 M C 0.649 176.693 176.300 -0.427 0.000 1.087 291 M CA 0.571 55.138 55.300 -1.222 0.000 1.176 291 M CB 0.241 31.824 32.600 -1.695 0.000 1.439 291 M HN 0.611 nan 8.290 nan 0.000 0.452 292 F N -0.578 119.305 119.950 -0.111 0.000 2.693 292 F HA 0.616 5.142 4.527 -0.000 0.000 0.309 292 F C -1.397 174.674 175.800 0.453 0.000 1.129 292 F CA -1.585 56.556 58.000 0.235 0.000 0.948 292 F CB 0.636 39.754 39.000 0.196 0.000 1.315 292 F HN 0.201 nan 8.300 nan 0.000 0.447 293 I N 2.248 123.152 120.570 0.556 0.000 2.416 293 I HA 0.187 4.357 4.170 -0.000 0.000 0.288 293 I C 0.735 177.155 176.117 0.505 0.000 1.051 293 I CA 0.071 61.589 61.300 0.364 0.000 1.375 293 I CB 0.931 39.047 38.000 0.194 0.000 1.407 293 I HN 0.783 nan 8.210 nan 0.000 0.516 294 S N 4.080 120.046 115.700 0.444 0.000 2.579 294 S HA 0.038 4.508 4.470 -0.000 0.000 0.275 294 S C 0.922 175.661 174.600 0.232 0.000 1.345 294 S CA -0.298 58.145 58.200 0.406 0.000 1.031 294 S CB 0.405 63.784 63.200 0.297 0.000 0.892 294 S HN 0.512 nan 8.310 nan 0.000 0.529 295 D N 1.324 121.837 120.400 0.189 0.000 2.340 295 D HA 0.083 4.723 4.640 -0.000 0.000 0.220 295 D C 0.408 176.768 176.300 0.100 0.000 1.039 295 D CA 0.450 54.541 54.000 0.151 0.000 0.866 295 D CB 0.108 41.036 40.800 0.213 0.000 0.913 295 D HN 0.654 nan 8.370 nan 0.000 0.523 296 T N -0.999 113.614 114.554 0.100 0.000 2.829 296 T HA 0.548 4.898 4.350 -0.000 0.000 0.280 296 T C -2.875 171.853 174.700 0.047 0.000 0.999 296 T CA -2.172 59.968 62.100 0.066 0.000 0.983 296 T CB 2.450 71.359 68.868 0.069 0.000 0.968 296 T HN -0.297 nan 8.240 nan 0.000 0.446 297 P HA 0.589 nan 4.420 nan 0.000 0.272 297 P C 0.659 177.967 177.300 0.013 0.000 1.223 297 P CA 0.569 63.676 63.100 0.011 0.000 0.784 297 P CB 0.690 32.389 31.700 -0.002 0.000 0.923 298 G N 0.590 109.393 108.800 0.005 0.000 2.334 298 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.249 298 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.249 298 G C -1.304 173.592 174.900 -0.006 0.000 1.327 298 G CA -0.727 44.373 45.100 -0.001 0.000 0.979 298 G HN 0.446 nan 8.290 nan 0.000 0.471 299 E N 0.504 120.698 120.200 -0.010 0.000 2.398 299 E HA 0.344 4.694 4.350 -0.000 0.000 0.263 299 E C 0.251 176.846 176.600 -0.008 0.000 1.046 299 E CA -0.023 56.368 56.400 -0.016 0.000 0.908 299 E CB 0.722 30.408 29.700 -0.024 0.000 0.963 299 E HN 0.351 nan 8.360 nan 0.000 0.431 300 R N 2.100 122.596 120.500 -0.007 0.000 2.390 300 R HA 0.074 4.413 4.340 -0.000 0.000 0.291 300 R C 0.257 176.567 176.300 0.017 0.000 1.070 300 R CA -0.552 55.555 56.100 0.011 0.000 1.014 300 R CB 0.289 30.595 30.300 0.010 0.000 1.007 300 R HN 0.533 nan 8.270 nan 0.000 0.466 301 N N 3.020 121.737 118.700 0.027 0.000 2.381 301 N HA 0.109 4.849 4.740 -0.000 0.000 0.254 301 N C -2.155 173.441 175.510 0.143 0.000 1.264 301 N CA -1.543 51.516 53.050 0.015 0.000 0.942 301 N CB 0.234 38.679 38.487 -0.071 0.000 1.190 301 N HN 0.128 nan 8.380 nan 0.000 0.495 302 P HA -0.107 nan 4.420 nan 0.000 0.220 302 P C 0.761 178.287 177.300 0.377 0.000 1.148 302 P CA 0.973 64.258 63.100 0.309 0.000 0.803 302 P CB -0.136 31.775 31.700 0.352 0.000 0.782 303 Y N 1.305 121.790 120.300 0.308 0.000 2.153 303 Y HA -0.117 4.432 4.550 -0.000 0.000 0.289 303 Y C 2.019 177.995 175.900 0.126 0.000 1.127 303 Y CA 1.348 59.536 58.100 0.147 0.000 1.131 303 Y CB -0.920 37.531 38.460 -0.016 0.000 0.995 303 Y HN -0.051 nan 8.280 nan 0.000 0.505 304 E N -0.043 120.128 120.200 -0.049 0.000 2.086 304 E HA -0.317 4.033 4.350 -0.000 0.000 0.200 304 E C 2.029 178.629 176.600 -0.000 0.000 1.012 304 E CA 1.614 57.957 56.400 -0.095 0.000 0.812 304 E CB -0.352 29.360 29.700 0.021 0.000 0.743 304 E HN 0.419 nan 8.360 nan 0.000 0.453 305 N N 0.948 119.689 118.700 0.068 0.000 2.058 305 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 305 N C 1.733 177.266 175.510 0.039 0.000 1.037 305 N CA 1.031 54.127 53.050 0.076 0.000 0.848 305 N CB -0.163 38.402 38.487 0.129 0.000 1.021 305 N HN 0.156 nan 8.380 nan 0.000 0.422 306 I N -0.477 120.153 120.570 0.099 0.000 2.315 306 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 306 I C 1.922 178.041 176.117 0.002 0.000 1.117 306 I CA 0.667 62.016 61.300 0.081 0.000 1.404 306 I CB -0.036 38.111 38.000 0.245 0.000 1.071 306 I HN 0.203 nan 8.210 nan 0.000 0.419 307 L N 0.034 121.231 121.223 -0.044 0.000 2.027 307 L HA -0.261 4.079 4.340 -0.000 0.000 0.206 307 L C 2.308 179.133 176.870 -0.075 0.000 1.074 307 L CA 1.956 56.738 54.840 -0.097 0.000 0.745 307 L CB -1.043 40.844 42.059 -0.285 0.000 0.898 307 L HN 0.293 nan 8.230 nan 0.000 0.433 308 Y N 0.347 120.589 120.300 -0.097 0.000 2.128 308 Y HA -0.306 4.244 4.550 -0.000 0.000 0.284 308 Y C 2.521 178.356 175.900 -0.108 0.000 1.154 308 Y CA 2.252 60.313 58.100 -0.066 0.000 1.149 308 Y CB -0.030 38.408 38.460 -0.038 0.000 0.976 308 Y HN 0.170 nan 8.280 nan 0.000 0.505 309 K N -0.257 120.148 120.400 0.009 0.000 2.057 309 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 309 K C 2.000 178.516 176.600 -0.140 0.000 1.050 309 K CA 1.674 57.905 56.287 -0.094 0.000 0.935 309 K CB -0.187 32.117 32.500 -0.326 0.000 0.715 309 K HN 0.349 nan 8.250 nan 0.000 0.439 310 I N 0.557 121.049 120.570 -0.130 0.000 2.252 310 I HA -0.313 3.856 4.170 -0.000 0.000 0.245 310 I C 2.138 178.170 176.117 -0.142 0.000 1.102 310 I CA 0.872 62.105 61.300 -0.111 0.000 1.385 310 I CB -0.240 37.712 38.000 -0.080 0.000 1.064 310 I HN 0.223 nan 8.210 nan 0.000 0.414 311 C N 0.336 119.526 119.300 -0.185 0.000 2.437 311 C HA -0.068 4.392 4.460 -0.000 0.000 0.283 311 C C 2.636 177.463 174.990 -0.273 0.000 1.424 311 C CA 0.082 58.971 59.018 -0.215 0.000 1.782 311 C CB -1.005 26.605 27.740 -0.217 0.000 1.833 311 C HN 0.477 nan 8.230 nan 0.000 0.532 312 L N 0.732 121.769 121.223 -0.309 0.000 2.083 312 L HA 0.045 4.385 4.340 -0.000 0.000 0.209 312 L C 0.964 177.728 176.870 -0.175 0.000 1.083 312 L CA 1.771 56.441 54.840 -0.282 0.000 0.752 312 L CB -0.116 41.823 42.059 -0.201 0.000 0.899 312 L HN 0.326 nan 8.230 nan 0.000 0.433 313 S N -2.355 113.263 115.700 -0.136 0.000 2.543 313 S HA 0.508 4.978 4.470 -0.000 0.000 0.273 313 S C 0.591 175.131 174.600 -0.100 0.000 1.152 313 S CA -0.335 57.803 58.200 -0.103 0.000 0.910 313 S CB 1.129 64.285 63.200 -0.074 0.000 1.105 313 S HN 0.213 nan 8.310 nan 0.000 0.465 314 G N 1.664 110.407 108.800 -0.094 0.000 2.776 314 G HA2 0.159 4.119 3.960 -0.000 0.000 0.209 314 G HA3 0.159 4.119 3.960 -0.000 0.000 0.209 314 G C -0.015 174.822 174.900 -0.105 0.000 1.145 314 G CA 0.374 45.417 45.100 -0.094 0.000 0.791 314 G HN 0.667 nan 8.290 nan 0.000 0.530 315 D N -0.882 119.452 120.400 -0.109 0.000 2.337 315 D HA 0.492 5.132 4.640 -0.000 0.000 0.238 315 D C 0.155 176.366 176.300 -0.149 0.000 1.331 315 D CA 0.272 54.190 54.000 -0.137 0.000 0.967 315 D CB 0.532 41.272 40.800 -0.100 0.000 1.382 315 D HN 0.269 nan 8.370 nan 0.000 0.549 316 G N 1.247 109.903 108.800 -0.239 0.000 2.321 316 G HA2 0.231 4.191 3.960 -0.000 0.000 0.296 316 G HA3 0.231 4.191 3.960 -0.000 0.000 0.296 316 G C -1.667 173.087 174.900 -0.244 0.000 1.287 316 G CA -0.903 44.087 45.100 -0.184 0.000 0.846 316 G HN 0.073 nan 8.290 nan 0.000 0.508 317 W N 1.676 122.996 121.300 0.033 0.000 2.322 317 W HA 0.327 4.987 4.660 -0.000 0.000 0.321 317 W C -1.809 174.754 176.519 0.074 0.000 0.991 317 W CA -1.549 55.837 57.345 0.069 0.000 1.448 317 W CB 1.867 31.372 29.460 0.075 0.000 1.239 317 W HN 0.400 nan 8.180 nan 0.000 0.399 318 P HA -0.250 nan 4.420 nan 0.000 0.216 318 P C 0.907 178.220 177.300 0.023 0.000 1.150 318 P CA 1.879 65.014 63.100 0.059 0.000 0.843 318 P CB 0.309 31.994 31.700 -0.025 0.000 0.787 319 Y N -0.602 119.790 120.300 0.153 0.000 2.436 319 Y HA 0.081 4.630 4.550 -0.000 0.000 0.288 319 Y C 2.277 178.244 175.900 0.112 0.000 1.112 319 Y CA 0.424 58.604 58.100 0.132 0.000 1.220 319 Y CB -0.283 38.261 38.460 0.140 0.000 1.073 319 Y HN -0.089 nan 8.280 nan 0.000 0.552 320 I N -3.708 117.031 120.570 0.281 0.000 4.456 320 I HA 0.516 4.686 4.170 -0.000 0.000 0.329 320 I C 0.878 177.036 176.117 0.068 0.000 1.313 320 I CA -0.636 60.754 61.300 0.150 0.000 1.205 320 I CB -0.371 37.692 38.000 0.105 0.000 1.179 320 I HN -0.160 nan 8.210 nan 0.000 0.419 321 A N 1.057 123.962 122.820 0.142 0.000 2.346 321 A HA 0.572 4.892 4.320 -0.000 0.000 0.252 321 A C 0.516 178.134 177.584 0.056 0.000 1.089 321 A CA 0.138 52.237 52.037 0.102 0.000 0.797 321 A CB 0.063 19.254 19.000 0.319 0.000 1.047 321 A HN 0.340 nan 8.150 nan 0.000 0.494 322 S N -0.492 115.223 115.700 0.025 0.000 2.498 322 S HA 0.210 4.680 4.470 -0.000 0.000 0.281 322 S C 0.829 175.448 174.600 0.032 0.000 1.265 322 S CA -0.165 58.041 58.200 0.010 0.000 1.071 322 S CB -0.195 63.001 63.200 -0.006 0.000 0.894 322 S HN 0.587 nan 8.310 nan 0.000 0.491 323 R N 1.969 122.478 120.500 0.016 0.000 2.472 323 R HA 0.108 4.448 4.340 -0.000 0.000 0.279 323 R C 1.881 178.176 176.300 -0.009 0.000 0.953 323 R CA 0.577 56.687 56.100 0.015 0.000 1.088 323 R CB 0.170 30.485 30.300 0.024 0.000 1.197 323 R HN 0.806 nan 8.270 nan 0.000 0.536 324 T N -3.033 111.507 114.554 -0.023 0.000 3.072 324 T HA 0.009 4.359 4.350 -0.000 0.000 0.266 324 T C 1.553 176.228 174.700 -0.041 0.000 1.127 324 T CA 0.972 63.045 62.100 -0.045 0.000 1.107 324 T CB 0.073 68.904 68.868 -0.061 0.000 0.910 324 T HN -0.097 nan 8.240 nan 0.000 0.513 325 S N 0.529 116.214 115.700 -0.026 0.000 2.575 325 S HA 0.356 4.826 4.470 -0.000 0.000 0.215 325 S C 0.551 175.136 174.600 -0.027 0.000 0.966 325 S CA -0.422 57.763 58.200 -0.025 0.000 0.911 325 S CB -0.120 63.072 63.200 -0.014 0.000 0.780 325 S HN 0.444 nan 8.310 nan 0.000 0.514 326 I N 3.746 124.299 120.570 -0.028 0.000 2.496 326 I HA 0.155 4.325 4.170 -0.000 0.000 0.285 326 I C 1.012 177.101 176.117 -0.047 0.000 1.080 326 I CA 0.124 61.402 61.300 -0.036 0.000 1.404 326 I CB 0.382 38.361 38.000 -0.036 0.000 1.403 326 I HN 0.138 nan 8.210 nan 0.000 0.539 327 T N 1.864 116.386 114.554 -0.055 0.000 2.943 327 T HA 0.770 5.120 4.350 -0.000 0.000 0.284 327 T C 0.261 174.908 174.700 -0.088 0.000 1.015 327 T CA -0.147 61.916 62.100 -0.061 0.000 1.042 327 T CB 1.844 70.680 68.868 -0.052 0.000 1.055 327 T HN 1.201 nan 8.240 nan 0.000 0.500 328 G N 1.444 110.184 108.800 -0.100 0.000 2.730 328 G HA2 0.031 3.991 3.960 -0.000 0.000 0.686 328 G HA3 0.031 3.991 3.960 -0.000 0.000 0.686 328 G C -0.809 173.947 174.900 -0.240 0.000 1.343 328 G CA -1.073 43.933 45.100 -0.156 0.000 0.826 328 G HN 0.840 nan 8.290 nan 0.000 0.582 329 R N 0.407 120.653 120.500 -0.422 0.000 2.596 329 R HA 0.783 5.123 4.340 -0.000 0.000 0.267 329 R C 1.794 177.598 176.300 -0.827 0.000 1.026 329 R CA -0.122 55.551 56.100 -0.712 0.000 1.087 329 R CB 0.430 29.886 30.300 -1.406 0.000 1.132 329 R HN 1.265 nan 8.270 nan 0.000 0.531 330 A N 1.090 123.283 122.820 -1.045 0.000 1.917 330 A HA -0.196 4.123 4.320 -0.000 0.000 0.219 330 A C 1.701 179.014 177.584 -0.453 0.000 1.182 330 A CA 2.006 53.517 52.037 -0.876 0.000 0.633 330 A CB -0.846 17.317 19.000 -1.395 0.000 0.819 330 A HN 0.877 nan 8.150 nan 0.000 0.448 331 W N -0.178 121.007 121.300 -0.192 0.000 2.611 331 W HA 0.153 4.813 4.660 -0.000 0.000 0.251 331 W C 1.231 177.711 176.519 -0.066 0.000 1.265 331 W CA 0.845 58.133 57.345 -0.095 0.000 1.295 331 W CB -0.315 29.122 29.460 -0.037 0.000 1.129 331 W HN 0.397 nan 8.180 nan 0.000 0.630 332 E N 0.402 120.462 120.200 -0.233 0.000 2.251 332 E HA -0.062 4.288 4.350 -0.000 0.000 0.194 332 E C 1.611 178.142 176.600 -0.116 0.000 0.964 332 E CA 0.596 56.926 56.400 -0.117 0.000 0.868 332 E CB -0.151 29.442 29.700 -0.179 0.000 0.828 332 E HN 0.162 nan 8.360 nan 0.000 0.481 333 N N 0.152 118.743 118.700 -0.182 0.000 2.424 333 N HA 0.008 4.748 4.740 -0.000 0.000 0.178 333 N C -0.323 175.119 175.510 -0.113 0.000 1.060 333 N CA 0.653 53.616 53.050 -0.146 0.000 0.901 333 N CB 0.798 39.178 38.487 -0.179 0.000 0.979 333 N HN -0.081 nan 8.380 nan 0.000 0.451 334 T N 1.071 115.562 114.554 -0.105 0.000 2.847 334 T HA 0.505 4.855 4.350 -0.000 0.000 0.291 334 T C -0.298 174.386 174.700 -0.027 0.000 0.998 334 T CA -0.707 61.351 62.100 -0.070 0.000 0.967 334 T CB 1.954 70.770 68.868 -0.087 0.000 0.954 334 T HN -0.085 nan 8.240 nan 0.000 0.441 335 V N 1.029 120.935 119.914 -0.015 0.000 2.864 335 V HA 0.883 5.003 4.120 -0.000 0.000 0.314 335 V C -0.412 175.684 176.094 0.004 0.000 1.073 335 V CA -0.992 61.313 62.300 0.008 0.000 0.956 335 V CB 1.866 33.696 31.823 0.012 0.000 1.023 335 V HN 0.540 nan 8.190 nan 0.000 0.435 336 V N 2.139 122.060 119.914 0.012 0.000 2.427 336 V HA 0.443 4.563 4.120 -0.000 0.000 0.286 336 V C -0.547 175.552 176.094 0.008 0.000 1.034 336 V CA 0.028 62.333 62.300 0.009 0.000 0.893 336 V CB 1.452 33.283 31.823 0.014 0.000 0.982 336 V HN 1.104 nan 8.190 nan 0.000 0.452 337 D N 4.088 124.490 120.400 0.003 0.000 2.373 337 D HA 0.522 5.162 4.640 -0.000 0.000 0.227 337 D C -0.664 175.638 176.300 0.003 0.000 1.091 337 D CA -0.169 53.833 54.000 0.003 0.000 0.840 337 D CB 1.330 42.130 40.800 -0.000 0.000 1.060 337 D HN 0.303 nan 8.370 nan 0.000 0.502 365 L N 1.657 122.861 121.223 -0.032 0.000 2.397 365 L HA 0.473 4.812 4.340 -0.000 0.000 0.271 365 L C 1.700 178.560 176.870 -0.016 0.000 1.148 365 L CA -0.017 54.800 54.840 -0.039 0.000 0.825 365 L CB 1.171 43.191 42.059 -0.065 0.000 1.117 365 L HN 0.848 nan 8.230 nan 0.000 0.456 366 T N -0.696 113.848 114.554 -0.016 0.000 2.748 366 T HA -0.006 4.344 4.350 -0.000 0.000 0.304 366 T C 1.088 175.806 174.700 0.032 0.000 1.041 366 T CA 0.061 62.171 62.100 0.017 0.000 1.033 366 T CB 0.196 69.070 68.868 0.009 0.000 0.995 366 T HN 0.516 nan 8.240 nan 0.000 0.536 367 Y N 1.352 121.633 120.300 -0.031 0.000 2.165 367 Y HA -0.122 4.428 4.550 -0.000 0.000 0.286 367 Y C 2.634 178.514 175.900 -0.034 0.000 1.155 367 Y CA 2.085 60.168 58.100 -0.030 0.000 1.164 367 Y CB -0.907 37.539 38.460 -0.023 0.000 0.978 367 Y HN 0.694 nan 8.280 nan 0.000 0.513 368 S N 0.219 115.782 115.700 -0.228 0.000 2.356 368 S HA -0.233 4.236 4.470 -0.000 0.000 0.223 368 S C 1.862 176.306 174.600 -0.259 0.000 1.032 368 S CA 1.540 59.567 58.200 -0.289 0.000 1.005 368 S CB -0.357 62.775 63.200 -0.113 0.000 0.867 368 S HN 0.600 nan 8.310 nan 0.000 0.449 369 Q N 0.442 120.136 119.800 -0.177 0.000 2.124 369 Q HA 0.011 4.351 4.340 -0.000 0.000 0.202 369 Q C 2.147 178.049 176.000 -0.164 0.000 0.977 369 Q CA 0.966 56.678 55.803 -0.153 0.000 0.850 369 Q CB -0.292 28.380 28.738 -0.110 0.000 0.901 369 Q HN 0.467 nan 8.270 nan 0.000 0.429 370 L N -0.229 120.890 121.223 -0.174 0.000 2.093 370 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 370 L C 2.374 179.131 176.870 -0.190 0.000 1.085 370 L CA 0.830 55.578 54.840 -0.152 0.000 0.755 370 L CB -0.220 41.780 42.059 -0.097 0.000 0.904 370 L HN 0.350 nan 8.230 nan 0.000 0.435 371 M N -1.136 118.280 119.600 -0.306 0.000 2.175 371 M HA -0.166 4.314 4.480 -0.000 0.000 0.264 371 M C 2.273 178.466 176.300 -0.178 0.000 1.063 371 M CA 1.718 56.853 55.300 -0.275 0.000 1.119 371 M CB -0.604 31.749 32.600 -0.413 0.000 1.377 371 M HN 0.217 nan 8.290 nan 0.000 0.415 372 T N 1.473 115.920 114.554 -0.178 0.000 2.684 372 T HA -0.173 4.176 4.350 -0.000 0.000 0.267 372 T C 1.712 176.349 174.700 -0.104 0.000 1.036 372 T CA 1.393 63.414 62.100 -0.130 0.000 1.148 372 T CB -0.411 68.374 68.868 -0.139 0.000 0.863 372 T HN 0.243 nan 8.240 nan 0.000 0.436 373 L N 1.184 122.338 121.223 -0.114 0.000 1.989 373 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 373 L C 2.238 179.059 176.870 -0.082 0.000 1.071 373 L CA 1.894 56.672 54.840 -0.103 0.000 0.749 373 L CB -0.461 41.525 42.059 -0.123 0.000 0.890 373 L HN 0.113 nan 8.230 nan 0.000 0.431 374 K N -0.737 119.614 120.400 -0.081 0.000 2.097 374 K HA -0.146 4.173 4.320 -0.000 0.000 0.205 374 K C 1.766 178.340 176.600 -0.042 0.000 1.050 374 K CA 1.416 57.669 56.287 -0.057 0.000 0.938 374 K CB -0.254 32.215 32.500 -0.053 0.000 0.718 374 K HN 0.362 nan 8.250 nan 0.000 0.442 375 D N 0.742 121.113 120.400 -0.049 0.000 2.144 375 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 375 D C 1.787 178.073 176.300 -0.024 0.000 0.984 375 D CA 1.197 55.178 54.000 -0.033 0.000 0.834 375 D CB -0.165 40.612 40.800 -0.038 0.000 0.955 375 D HN 0.192 nan 8.370 nan 0.000 0.465 376 A N 0.654 123.453 122.820 -0.034 0.000 1.972 376 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 376 A C 2.063 179.635 177.584 -0.021 0.000 1.169 376 A CA 1.052 53.073 52.037 -0.027 0.000 0.635 376 A CB -0.401 18.576 19.000 -0.038 0.000 0.810 376 A HN 0.118 nan 8.150 nan 0.000 0.446 377 M N -0.238 119.346 119.600 -0.025 0.000 2.460 377 M HA 0.013 4.493 4.480 -0.000 0.000 0.263 377 M C 1.665 177.965 176.300 -0.000 0.000 1.071 377 M CA 0.831 56.120 55.300 -0.018 0.000 1.096 377 M CB -1.048 31.537 32.600 -0.024 0.000 1.408 377 M HN 0.404 nan 8.290 nan 0.000 0.463 378 L N -0.294 120.936 121.223 0.011 0.000 2.353 378 L HA -0.203 4.137 4.340 -0.000 0.000 0.220 378 L C 2.502 179.415 176.870 0.071 0.000 1.133 378 L CA 0.887 55.752 54.840 0.042 0.000 0.798 378 L CB -0.746 41.335 42.059 0.037 0.000 0.922 378 L HN 0.427 nan 8.230 nan 0.000 0.445 379 Q N 0.594 120.420 119.800 0.043 0.000 2.224 379 Q HA -0.069 4.271 4.340 -0.000 0.000 0.203 379 Q C 0.928 176.948 176.000 0.034 0.000 0.970 379 Q CA 0.409 56.244 55.803 0.054 0.000 0.865 379 Q CB 0.171 28.923 28.738 0.025 0.000 0.922 379 Q HN 0.451 nan 8.270 nan 0.000 0.445 380 L N 2.284 123.497 121.223 -0.017 0.000 2.485 380 L HA -0.014 4.326 4.340 -0.000 0.000 0.275 380 L C 0.060 176.773 176.870 -0.262 0.000 1.207 380 L CA -0.294 54.489 54.840 -0.095 0.000 0.855 380 L CB 0.260 42.274 42.059 -0.075 0.000 1.114 380 L HN 0.131 nan 8.230 nan 0.000 0.485 381 D N 5.256 125.395 120.400 -0.435 0.000 2.347 381 D HA 0.155 4.795 4.640 -0.000 0.000 0.235 381 D C -1.647 174.350 176.300 -0.505 0.000 1.149 381 D CA -2.200 51.240 54.000 -0.934 0.000 0.850 381 D CB 1.413 41.685 40.800 -0.881 0.000 1.061 381 D HN 0.167 nan 8.370 nan 0.000 0.487 382 P HA -0.046 nan 4.420 nan 0.000 0.230 382 P C 0.114 177.326 177.300 -0.146 0.000 1.158 382 P CA 0.772 63.762 63.100 -0.184 0.000 0.769 382 P CB 0.262 31.908 31.700 -0.090 0.000 0.807 383 N N -0.463 118.131 118.700 -0.178 0.000 2.373 383 N HA 0.139 4.879 4.740 -0.000 0.000 0.181 383 N C 0.758 176.205 175.510 -0.106 0.000 1.082 383 N CA -0.072 52.917 53.050 -0.102 0.000 0.885 383 N CB -0.122 38.337 38.487 -0.047 0.000 0.977 383 N HN 0.075 nan 8.380 nan 0.000 0.462 384 A N 1.092 123.823 122.820 -0.148 0.000 2.332 384 A HA 0.167 4.486 4.320 -0.000 0.000 0.258 384 A C 0.310 177.826 177.584 -0.114 0.000 1.087 384 A CA -0.464 51.499 52.037 -0.123 0.000 0.802 384 A CB 0.339 19.252 19.000 -0.146 0.000 1.042 384 A HN 0.143 nan 8.150 nan 0.000 0.489 385 K N 0.675 121.014 120.400 -0.103 0.000 2.484 385 K HA 0.160 4.480 4.320 -0.000 0.000 0.280 385 K C -0.923 175.606 176.600 -0.120 0.000 1.013 385 K CA 0.848 57.061 56.287 -0.123 0.000 1.029 385 K CB 0.043 32.488 32.500 -0.092 0.000 0.902 385 K HN 0.637 nan 8.250 nan 0.000 0.481 386 T N 4.418 118.881 114.554 -0.152 0.000 2.949 386 T HA 0.228 4.578 4.350 -0.000 0.000 0.300 386 T C -1.236 173.414 174.700 -0.084 0.000 0.988 386 T CA -0.601 61.456 62.100 -0.071 0.000 0.993 386 T CB 0.289 69.123 68.868 -0.056 0.000 0.984 386 T HN 0.495 nan 8.240 nan 0.000 0.442 387 W N 3.208 124.511 121.300 0.006 0.000 2.375 387 W HA 0.748 5.408 4.660 -0.000 0.000 0.336 387 W C 0.215 176.778 176.519 0.073 0.000 1.160 387 W CA -0.785 56.600 57.345 0.068 0.000 1.266 387 W CB 1.066 30.609 29.460 0.137 0.000 1.195 387 W HN 0.415 nan 8.180 nan 0.000 0.599 388 M N 2.345 122.139 119.600 0.323 0.000 2.484 388 M HA 0.396 4.876 4.480 -0.000 0.000 0.289 388 M C -2.079 174.355 176.300 0.224 0.000 1.206 388 M CA -0.324 55.104 55.300 0.213 0.000 0.892 388 M CB 2.259 34.932 32.600 0.121 0.000 1.712 388 M HN 0.515 nan 8.290 nan 0.000 0.462 389 D N 2.723 123.209 120.400 0.145 0.000 2.654 389 D HA 0.710 5.349 4.640 -0.000 0.000 0.231 389 D C -1.705 174.630 176.300 0.059 0.000 1.239 389 D CA -0.440 53.640 54.000 0.134 0.000 0.790 389 D CB 2.349 43.221 40.800 0.119 0.000 1.480 389 D HN 0.698 nan 8.370 nan 0.000 0.442 390 I N -1.457 119.157 120.570 0.074 0.000 2.865 390 I HA 0.694 4.864 4.170 -0.000 0.000 0.302 390 I C -1.165 175.013 176.117 0.102 0.000 1.140 390 I CA -0.726 60.603 61.300 0.048 0.000 1.021 390 I CB 2.329 40.354 38.000 0.041 0.000 1.233 390 I HN 0.090 nan 8.210 nan 0.000 0.427 391 E N 2.646 122.914 120.200 0.113 0.000 2.207 391 E HA 0.697 5.047 4.350 -0.000 0.000 0.270 391 E C -0.073 176.636 176.600 0.182 0.000 0.927 391 E CA -0.116 56.403 56.400 0.198 0.000 0.799 391 E CB 1.941 31.800 29.700 0.267 0.000 1.172 391 E HN 1.147 nan 8.360 nan 0.000 0.404 392 G N 1.893 110.849 108.800 0.259 0.000 2.712 392 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.686 392 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.686 392 G C -0.500 174.496 174.900 0.161 0.000 1.321 392 G CA -0.768 44.465 45.100 0.222 0.000 0.813 392 G HN 0.456 nan 8.290 nan 0.000 0.599 393 R N 1.990 122.577 120.500 0.145 0.000 2.694 393 R HA 0.284 4.624 4.340 -0.000 0.000 0.268 393 R C -0.938 175.420 176.300 0.096 0.000 1.061 393 R CA -0.815 55.351 56.100 0.109 0.000 1.133 393 R CB 0.695 31.054 30.300 0.098 0.000 1.020 393 R HN 0.410 nan 8.270 nan 0.000 0.475 394 P HA -0.213 nan 4.420 nan 0.000 0.219 394 P C 0.506 177.846 177.300 0.067 0.000 1.146 394 P CA 1.389 64.530 63.100 0.068 0.000 0.808 394 P CB 0.119 31.853 31.700 0.058 0.000 0.779 395 E N -0.159 120.081 120.200 0.067 0.000 2.427 395 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 395 E C 0.063 176.707 176.600 0.073 0.000 1.028 395 E CA 0.842 57.280 56.400 0.063 0.000 0.864 395 E CB -0.459 29.276 29.700 0.057 0.000 0.813 395 E HN 0.156 nan 8.360 nan 0.000 0.514 396 D N 1.051 121.505 120.400 0.089 0.000 3.118 396 D HA 0.204 4.844 4.640 -0.000 0.000 0.286 396 D C -2.746 173.629 176.300 0.125 0.000 1.255 396 D CA -1.842 52.221 54.000 0.105 0.000 0.748 396 D CB 0.966 41.837 40.800 0.119 0.000 1.332 396 D HN -0.075 nan 8.370 nan 0.000 0.575 397 P HA 0.104 nan 4.420 nan 0.000 0.274 397 P C 0.759 178.119 177.300 0.100 0.000 1.231 397 P CA -0.357 62.800 63.100 0.095 0.000 0.790 397 P CB 1.911 33.644 31.700 0.055 0.000 0.951 398 V N -1.722 118.252 119.914 0.101 0.000 3.485 398 V HA 0.396 4.516 4.120 -0.000 0.000 0.280 398 V C 0.412 176.562 176.094 0.093 0.000 1.495 398 V CA 0.364 62.736 62.300 0.120 0.000 1.018 398 V CB -0.220 31.724 31.823 0.201 0.000 0.818 398 V HN 0.540 nan 8.190 nan 0.000 0.436 399 E N 0.354 120.551 120.200 -0.004 0.000 2.304 399 E HA 0.672 5.021 4.350 -0.000 0.000 0.277 399 E C -1.825 174.617 176.600 -0.265 0.000 0.898 399 E CA -0.697 55.614 56.400 -0.148 0.000 0.764 399 E CB 2.607 32.344 29.700 0.062 0.000 1.216 399 E HN 0.455 nan 8.360 nan 0.000 0.419 400 I N 2.839 123.055 120.570 -0.591 0.000 2.499 400 I HA 0.655 4.825 4.170 -0.000 0.000 0.288 400 I C -0.702 175.156 176.117 -0.432 0.000 1.048 400 I CA -0.757 60.203 61.300 -0.565 0.000 1.062 400 I CB 1.966 39.447 38.000 -0.866 0.000 1.238 400 I HN 0.558 nan 8.210 nan 0.000 0.426 401 A N 6.821 129.552 122.820 -0.148 0.000 2.414 401 A HA 0.934 5.254 4.320 -0.000 0.000 0.306 401 A C -1.404 176.222 177.584 0.069 0.000 1.054 401 A CA -0.415 51.614 52.037 -0.013 0.000 0.724 401 A CB 1.527 20.485 19.000 -0.070 0.000 1.267 401 A HN 0.561 nan 8.150 nan 0.000 0.418 402 L N 1.392 122.707 121.223 0.152 0.000 2.354 402 L HA 0.670 5.009 4.340 -0.000 0.000 0.269 402 L C -1.056 175.984 176.870 0.283 0.000 1.005 402 L CA -0.448 54.510 54.840 0.195 0.000 0.819 402 L CB 2.070 44.224 42.059 0.158 0.000 1.311 402 L HN 0.697 nan 8.230 nan 0.000 0.423 403 Y N 1.581 121.962 120.300 0.136 0.000 2.362 403 Y HA 0.425 4.975 4.550 -0.000 0.000 0.326 403 Y C -1.316 174.675 175.900 0.152 0.000 1.083 403 Y CA -0.888 57.281 58.100 0.115 0.000 1.073 403 Y CB 1.692 40.155 38.460 0.004 0.000 1.211 403 Y HN 0.589 nan 8.280 nan 0.000 0.433 404 Q N 8.697 128.334 119.800 -0.272 0.000 2.466 404 Q HA 0.274 4.614 4.340 -0.000 0.000 0.242 404 Q C -2.105 173.521 176.000 -0.622 0.000 1.046 404 Q CA -2.012 53.588 55.803 -0.337 0.000 0.841 404 Q CB 1.817 30.465 28.738 -0.150 0.000 1.193 404 Q HN 0.486 nan 8.270 nan 0.000 0.508 405 P HA -0.152 nan 4.420 nan 0.000 0.221 405 P C 1.433 178.604 177.300 -0.214 0.000 1.150 405 P CA 0.990 63.700 63.100 -0.649 0.000 0.800 405 P CB 0.410 31.916 31.700 -0.323 0.000 0.787 406 S N 0.282 115.895 115.700 -0.146 0.000 2.356 406 S HA -0.133 4.337 4.470 -0.000 0.000 0.223 406 S C 2.085 176.668 174.600 -0.029 0.000 1.032 406 S CA 2.194 60.358 58.200 -0.059 0.000 1.005 406 S CB -0.765 62.407 63.200 -0.047 0.000 0.867 406 S HN 0.323 nan 8.310 nan 0.000 0.449 407 S N -0.889 114.787 115.700 -0.040 0.000 2.470 407 S HA 0.376 4.846 4.470 -0.000 0.000 0.222 407 S C 1.651 176.274 174.600 0.038 0.000 1.024 407 S CA 0.967 59.171 58.200 0.006 0.000 0.931 407 S CB -0.144 63.057 63.200 0.002 0.000 0.791 407 S HN 1.303 nan 8.310 nan 0.000 0.513 408 G N 1.004 109.817 108.800 0.021 0.000 2.157 408 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.248 408 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.248 408 G C 0.351 175.396 174.900 0.241 0.000 0.979 408 G CA 0.032 45.224 45.100 0.153 0.000 0.650 408 G HN 1.461 nan 8.290 nan 0.000 0.529 409 C N 0.473 119.852 119.300 0.132 0.000 2.539 409 C HA 0.910 5.370 4.460 -0.000 0.000 0.392 409 C C 0.214 175.360 174.990 0.261 0.000 1.269 409 C CA -0.828 58.271 59.018 0.134 0.000 2.250 409 C CB -0.262 27.496 27.740 0.029 0.000 2.584 409 C HN 1.449 nan 8.230 nan 0.000 0.589 410 Y N 0.741 121.114 120.300 0.122 0.000 2.504 410 Y HA 0.815 5.365 4.550 -0.000 0.000 0.344 410 Y C -1.112 174.857 175.900 0.115 0.000 1.023 410 Y CA -1.823 56.358 58.100 0.135 0.000 1.020 410 Y CB 0.728 39.242 38.460 0.090 0.000 1.282 410 Y HN 0.710 nan 8.280 nan 0.000 0.454 411 I N 4.606 125.316 120.570 0.234 0.000 2.377 411 I HA 0.366 4.536 4.170 -0.000 0.000 0.293 411 I C -0.727 175.614 176.117 0.374 0.000 0.987 411 I CA -0.536 60.897 61.300 0.221 0.000 1.185 411 I CB 1.365 39.492 38.000 0.211 0.000 1.341 411 I HN 0.831 nan 8.210 nan 0.000 0.455 412 H N 7.781 126.997 119.070 0.243 0.000 3.083 412 H HA 0.488 5.044 4.556 -0.000 0.000 0.339 412 H C -1.850 173.494 175.328 0.027 0.000 1.020 412 H CA -0.551 55.542 56.048 0.074 0.000 1.360 412 H CB 1.726 31.589 29.762 0.168 0.000 1.811 412 H HN 0.565 nan 8.280 nan 0.000 0.493 413 F N 2.791 122.354 119.950 -0.644 0.000 2.831 413 F HA 0.687 5.214 4.527 -0.000 0.000 0.318 413 F C -2.277 172.953 175.800 -0.950 0.000 1.174 413 F CA -1.068 56.476 58.000 -0.760 0.000 0.918 413 F CB 1.254 40.072 39.000 -0.304 0.000 1.364 413 F HN 0.193 nan 8.300 nan 0.000 0.475 414 F N 0.341 120.244 119.950 -0.078 0.000 2.631 414 F HA 0.813 5.340 4.527 -0.000 0.000 0.328 414 F C -0.368 175.447 175.800 0.025 0.000 1.067 414 F CA -1.012 56.915 58.000 -0.122 0.000 0.969 414 F CB 2.233 41.118 39.000 -0.193 0.000 1.332 414 F HN 0.705 nan 8.300 nan 0.000 0.490 415 R N 0.762 121.387 120.500 0.208 0.000 2.566 415 R HA 0.302 4.641 4.340 -0.000 0.000 0.271 415 R C -1.573 174.786 176.300 0.098 0.000 1.071 415 R CA -0.614 55.573 56.100 0.146 0.000 0.915 415 R CB 1.822 32.206 30.300 0.140 0.000 1.228 415 R HN 0.787 nan 8.270 nan 0.000 0.449 416 E N 4.756 124.996 120.200 0.066 0.000 2.360 416 E HA 0.179 4.529 4.350 -0.000 0.000 0.269 416 E C -2.059 174.542 176.600 0.001 0.000 1.022 416 E CA -1.663 54.747 56.400 0.017 0.000 0.887 416 E CB 0.969 30.691 29.700 0.037 0.000 0.990 416 E HN 0.391 nan 8.360 nan 0.000 0.426 417 P HA 0.045 nan 4.420 nan 0.000 0.278 417 P C 0.044 177.348 177.300 0.007 0.000 1.238 417 P CA -0.194 62.907 63.100 0.001 0.000 0.794 417 P CB 1.208 32.889 31.700 -0.031 0.000 0.955 418 T N -0.664 113.918 114.554 0.047 0.000 2.852 418 T HA -0.047 4.303 4.350 -0.000 0.000 0.256 418 T C 0.552 175.284 174.700 0.053 0.000 1.038 418 T CA 1.295 63.420 62.100 0.041 0.000 1.141 418 T CB -0.410 68.486 68.868 0.048 0.000 0.869 418 T HN 0.474 nan 8.240 nan 0.000 0.439 419 D N 1.333 121.785 120.400 0.087 0.000 2.428 419 D HA 0.148 4.788 4.640 -0.000 0.000 0.221 419 D C 0.731 177.119 176.300 0.148 0.000 1.123 419 D CA -0.421 53.642 54.000 0.104 0.000 0.869 419 D CB 1.086 41.953 40.800 0.111 0.000 1.032 419 D HN -0.066 nan 8.370 nan 0.000 0.506 420 L N 5.026 126.321 121.223 0.119 0.000 2.141 420 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 420 L C 2.118 179.111 176.870 0.205 0.000 1.094 420 L CA 1.664 56.597 54.840 0.154 0.000 0.763 420 L CB -0.423 41.692 42.059 0.095 0.000 0.908 420 L HN 0.365 nan 8.230 nan 0.000 0.437 421 K N -1.072 119.416 120.400 0.147 0.000 2.002 421 K HA -0.266 4.053 4.320 -0.000 0.000 0.209 421 K C 2.235 178.922 176.600 0.146 0.000 1.048 421 K CA 1.765 58.129 56.287 0.128 0.000 0.930 421 K CB -0.124 32.431 32.500 0.091 0.000 0.714 421 K HN 0.262 nan 8.250 nan 0.000 0.438 422 Q N 0.082 119.973 119.800 0.152 0.000 2.079 422 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 422 Q C 1.782 177.893 176.000 0.185 0.000 0.974 422 Q CA 1.669 57.560 55.803 0.146 0.000 0.840 422 Q CB -0.451 28.368 28.738 0.135 0.000 0.898 422 Q HN 0.405 nan 8.270 nan 0.000 0.430 423 F N 0.815 120.835 119.950 0.117 0.000 2.120 423 F HA -0.222 4.305 4.527 -0.000 0.000 0.300 423 F C 1.716 177.597 175.800 0.135 0.000 1.095 423 F CA 1.766 59.863 58.000 0.161 0.000 1.249 423 F CB 0.016 39.104 39.000 0.148 0.000 0.995 423 F HN 0.032 nan 8.300 nan 0.000 0.480 424 K N -0.492 120.034 120.400 0.211 0.000 2.148 424 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 424 K C 2.118 178.691 176.600 -0.045 0.000 1.050 424 K CA 1.145 57.484 56.287 0.086 0.000 0.942 424 K CB -0.125 32.464 32.500 0.148 0.000 0.724 424 K HN 0.318 nan 8.250 nan 0.000 0.446 425 Q N 0.935 120.746 119.800 0.017 0.000 2.046 425 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 425 Q C 1.606 177.613 176.000 0.012 0.000 0.975 425 Q CA 1.354 57.209 55.803 0.087 0.000 0.836 425 Q CB -0.295 28.520 28.738 0.128 0.000 0.896 425 Q HN 0.302 nan 8.270 nan 0.000 0.428 426 D N 0.982 121.307 120.400 -0.125 0.000 2.149 426 D HA -0.132 4.507 4.640 -0.000 0.000 0.198 426 D C 1.758 177.553 176.300 -0.841 0.000 0.990 426 D CA 1.492 55.292 54.000 -0.333 0.000 0.839 426 D CB -0.215 40.469 40.800 -0.194 0.000 0.948 426 D HN 0.254 nan 8.370 nan 0.000 0.460 427 A N 1.097 123.404 122.820 -0.854 0.000 1.908 427 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 427 A C 2.064 179.372 177.584 -0.461 0.000 1.181 427 A CA 1.466 53.078 52.037 -0.709 0.000 0.627 427 A CB -0.231 18.512 19.000 -0.428 0.000 0.818 427 A HN 0.060 nan 8.150 nan 0.000 0.445 428 K N -1.705 118.445 120.400 -0.415 0.000 2.116 428 K HA -0.018 4.302 4.320 -0.000 0.000 0.203 428 K C 1.159 177.330 176.600 -0.714 0.000 1.052 428 K CA 1.190 57.144 56.287 -0.555 0.000 0.952 428 K CB -0.207 31.885 32.500 -0.680 0.000 0.729 428 K HN 0.696 nan 8.250 nan 0.000 0.446 429 Y N -0.673 119.495 120.300 -0.220 0.000 2.467 429 Y HA 0.164 4.713 4.550 -0.000 0.000 0.250 429 Y C 2.067 177.822 175.900 -0.243 0.000 1.155 429 Y CA -0.092 57.897 58.100 -0.185 0.000 1.249 429 Y CB 0.908 39.297 38.460 -0.118 0.000 1.146 429 Y HN -0.062 nan 8.280 nan 0.000 0.524 430 S N -1.228 114.328 115.700 -0.240 0.000 4.098 430 S HA 0.011 4.481 4.470 -0.000 0.000 0.193 430 S C 1.290 175.723 174.600 -0.279 0.000 1.049 430 S CA 0.501 58.535 58.200 -0.277 0.000 1.034 430 S CB -0.429 62.734 63.200 -0.061 0.000 1.380 430 S HN 0.502 nan 8.310 nan 0.000 0.629 431 H N -0.447 118.597 119.070 -0.043 0.000 2.654 431 H HA 0.529 5.085 4.556 -0.000 0.000 0.264 431 H C 1.302 176.729 175.328 0.164 0.000 0.954 431 H CA 0.809 56.930 56.048 0.121 0.000 1.199 431 H CB -0.632 29.258 29.762 0.213 0.000 1.446 431 H HN 0.614 nan 8.280 nan 0.000 0.516 432 G N 1.023 109.859 108.800 0.060 0.000 2.225 432 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.267 432 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.267 432 G C -0.009 174.992 174.900 0.169 0.000 1.024 432 G CA 0.532 45.675 45.100 0.071 0.000 0.784 432 G HN 0.501 nan 8.290 nan 0.000 0.507 433 I N 0.538 121.309 120.570 0.336 0.000 2.428 433 I HA 0.216 4.386 4.170 -0.000 0.000 0.289 433 I C 0.224 176.489 176.117 0.246 0.000 1.019 433 I CA -0.644 60.760 61.300 0.174 0.000 1.351 433 I CB 1.071 39.116 38.000 0.074 0.000 1.412 433 I HN 0.019 nan 8.210 nan 0.000 0.513 434 D N 5.585 126.065 120.400 0.134 0.000 2.295 434 D HA 0.037 4.677 4.640 -0.000 0.000 0.248 434 D C 0.845 177.172 176.300 0.046 0.000 1.154 434 D CA -0.050 54.013 54.000 0.105 0.000 0.857 434 D CB 1.801 42.590 40.800 -0.017 0.000 1.117 434 D HN 0.326 nan 8.370 nan 0.000 0.468 435 V N 4.077 124.032 119.914 0.068 0.000 2.453 435 V HA -0.286 3.833 4.120 -0.000 0.000 0.252 435 V C 2.240 177.940 176.094 -0.657 0.000 1.068 435 V CA 3.109 65.203 62.300 -0.344 0.000 1.070 435 V CB -0.594 30.946 31.823 -0.472 0.000 0.664 435 V HN 0.861 nan 8.190 nan 0.000 0.461 436 T N -3.429 110.704 114.554 -0.703 0.000 2.962 436 T HA -0.151 4.199 4.350 -0.000 0.000 0.270 436 T C 1.480 175.693 174.700 -0.811 0.000 1.088 436 T CA 1.300 62.665 62.100 -1.224 0.000 1.127 436 T CB -0.486 68.019 68.868 -0.604 0.000 0.883 436 T HN 0.513 nan 8.240 nan 0.000 0.493 437 D N 1.076 121.224 120.400 -0.420 0.000 2.348 437 D HA 0.115 4.755 4.640 -0.000 0.000 0.216 437 D C 1.765 177.954 176.300 -0.185 0.000 0.970 437 D CA 0.413 54.274 54.000 -0.232 0.000 0.889 437 D CB -0.043 40.659 40.800 -0.163 0.000 0.912 437 D HN 0.430 nan 8.370 nan 0.000 0.524 438 L N -0.222 120.859 121.223 -0.237 0.000 2.509 438 L HA 0.019 4.359 4.340 -0.000 0.000 0.222 438 L C 1.674 178.632 176.870 0.146 0.000 1.123 438 L CA -0.036 54.755 54.840 -0.082 0.000 0.856 438 L CB -0.091 41.920 42.059 -0.080 0.000 0.985 438 L HN -0.087 nan 8.230 nan 0.000 0.456 439 F N 0.782 120.708 119.950 -0.041 0.000 2.216 439 F HA -0.106 4.420 4.527 -0.000 0.000 0.300 439 F C 2.468 178.280 175.800 0.019 0.000 1.085 439 F CA 0.658 58.646 58.000 -0.019 0.000 1.326 439 F CB -1.118 37.871 39.000 -0.019 0.000 1.027 439 F HN 0.044 nan 8.300 nan 0.000 0.497 440 A N -0.378 122.583 122.820 0.235 0.000 2.251 440 A HA 0.078 4.398 4.320 -0.000 0.000 0.209 440 A C 1.141 178.897 177.584 0.286 0.000 1.187 440 A CA 0.564 52.748 52.037 0.245 0.000 0.823 440 A CB -1.175 17.972 19.000 0.244 0.000 0.846 440 A HN 0.292 nan 8.150 nan 0.000 0.486 441 T N -2.037 112.585 114.554 0.113 0.000 2.913 441 T HA 0.445 4.795 4.350 -0.000 0.000 0.287 441 T C -0.129 174.567 174.700 -0.007 0.000 1.008 441 T CA -0.539 61.500 62.100 -0.101 0.000 1.067 441 T CB 1.068 69.823 68.868 -0.188 0.000 0.996 441 T HN 0.224 nan 8.240 nan 0.000 0.513 442 Q N 2.490 122.267 119.800 -0.039 0.000 2.288 442 Q HA 0.422 4.762 4.340 -0.000 0.000 0.258 442 Q C -2.569 173.427 176.000 -0.007 0.000 0.957 442 Q CA -1.718 54.079 55.803 -0.010 0.000 0.919 442 Q CB 0.526 29.249 28.738 -0.025 0.000 1.185 442 Q HN 0.457 nan 8.270 nan 0.000 0.408 443 P HA 0.248 nan 4.420 nan 0.000 0.274 443 P C 0.103 177.391 177.300 -0.020 0.000 1.246 443 P CA 0.454 63.556 63.100 0.004 0.000 0.795 443 P CB 0.732 32.432 31.700 0.000 0.000 1.006 444 G N -0.130 108.664 108.800 -0.011 0.000 2.184 444 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.264 444 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.264 444 G C 0.769 175.619 174.900 -0.083 0.000 0.975 444 G CA 0.347 45.429 45.100 -0.031 0.000 0.642 444 G HN 0.473 nan 8.290 nan 0.000 0.536 445 L N 0.120 121.261 121.223 -0.136 0.000 2.217 445 L HA -0.002 4.338 4.340 -0.000 0.000 0.211 445 L C 3.034 179.672 176.870 -0.388 0.000 1.107 445 L CA 1.747 56.351 54.840 -0.393 0.000 0.783 445 L CB -0.571 41.053 42.059 -0.725 0.000 0.919 445 L HN 0.332 nan 8.230 nan 0.000 0.442 446 T N -0.816 113.741 114.554 0.004 0.000 2.622 446 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 446 T C 2.122 176.868 174.700 0.076 0.000 1.047 446 T CA 1.936 64.166 62.100 0.216 0.000 1.159 446 T CB -0.172 68.845 68.868 0.248 0.000 0.863 446 T HN 0.275 nan 8.240 nan 0.000 0.422 447 S N 1.280 116.995 115.700 0.025 0.000 2.356 447 S HA -0.019 4.451 4.470 -0.000 0.000 0.223 447 S C 2.592 177.176 174.600 -0.026 0.000 1.032 447 S CA 0.983 59.188 58.200 0.009 0.000 1.005 447 S CB -0.662 62.541 63.200 0.005 0.000 0.867 447 S HN 0.585 nan 8.310 nan 0.000 0.449 448 A N 1.264 124.040 122.820 -0.073 0.000 1.865 448 A HA -0.072 4.247 4.320 -0.000 0.000 0.217 448 A C 2.381 179.902 177.584 -0.106 0.000 1.191 448 A CA 1.750 53.729 52.037 -0.096 0.000 0.623 448 A CB -1.053 17.865 19.000 -0.137 0.000 0.826 448 A HN 0.334 nan 8.150 nan 0.000 0.444 449 V N 0.085 119.897 119.914 -0.171 0.000 2.295 449 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 449 V C 2.446 178.530 176.094 -0.017 0.000 1.049 449 V CA 2.088 64.311 62.300 -0.128 0.000 1.024 449 V CB -0.693 30.999 31.823 -0.218 0.000 0.648 449 V HN 0.564 nan 8.190 nan 0.000 0.447 450 I N 0.173 120.759 120.570 0.026 0.000 2.286 450 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 450 I C 2.192 178.321 176.117 0.020 0.000 1.115 450 I CA 1.537 62.865 61.300 0.047 0.000 1.392 450 I CB -0.470 37.573 38.000 0.071 0.000 1.065 450 I HN 0.308 nan 8.210 nan 0.000 0.418 451 D N 1.012 121.415 120.400 0.005 0.000 2.178 451 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 451 D C 2.088 178.385 176.300 -0.005 0.000 0.980 451 D CA 1.412 55.412 54.000 -0.000 0.000 0.842 451 D CB -0.101 40.695 40.800 -0.005 0.000 0.948 451 D HN 0.353 nan 8.370 nan 0.000 0.472 452 A N -0.001 122.811 122.820 -0.014 0.000 2.208 452 A HA 0.115 4.435 4.320 -0.000 0.000 0.209 452 A C 0.999 178.578 177.584 -0.009 0.000 1.161 452 A CA -0.125 51.902 52.037 -0.017 0.000 0.782 452 A CB -0.326 18.654 19.000 -0.033 0.000 0.816 452 A HN 0.149 nan 8.150 nan 0.000 0.477 453 L N 1.016 122.239 121.223 -0.001 0.000 2.485 453 L HA 0.130 4.470 4.340 -0.000 0.000 0.275 453 L C -2.046 174.821 176.870 -0.004 0.000 1.207 453 L CA -1.595 53.246 54.840 0.001 0.000 0.855 453 L CB 0.096 42.162 42.059 0.012 0.000 1.114 453 L HN 0.080 nan 8.230 nan 0.000 0.485 454 P HA -0.041 nan 4.420 nan 0.000 0.264 454 P C -0.500 176.794 177.300 -0.010 0.000 1.179 454 P CA -0.036 63.057 63.100 -0.012 0.000 0.763 454 P CB 0.382 32.065 31.700 -0.028 0.000 0.806 455 R N 3.520 124.017 120.500 -0.006 0.000 2.679 455 R HA 0.049 4.389 4.340 -0.000 0.000 0.268 455 R C 0.803 177.097 176.300 -0.010 0.000 1.044 455 R CA 0.451 56.548 56.100 -0.005 0.000 1.105 455 R CB -0.580 29.719 30.300 -0.001 0.000 0.989 455 R HN 0.483 nan 8.270 nan 0.000 0.447 456 N N 1.473 120.166 118.700 -0.011 0.000 2.693 456 N HA -0.293 4.447 4.740 -0.000 0.000 0.249 456 N C -0.350 175.145 175.510 -0.025 0.000 1.119 456 N CA 1.075 54.115 53.050 -0.016 0.000 0.717 456 N CB -1.033 37.446 38.487 -0.014 0.000 1.071 456 N HN 0.625 nan 8.380 nan 0.000 0.555 457 M N 0.698 120.281 119.600 -0.028 0.000 2.252 457 M HA 0.043 4.523 4.480 -0.000 0.000 0.333 457 M C -0.002 176.269 176.300 -0.048 0.000 1.111 457 M CA 0.427 55.703 55.300 -0.040 0.000 1.140 457 M CB 0.640 33.219 32.600 -0.036 0.000 1.538 457 M HN -0.105 nan 8.290 nan 0.000 0.448 458 V N 6.274 126.149 119.914 -0.065 0.000 2.384 458 V HA 0.460 4.580 4.120 -0.000 0.000 0.287 458 V C -0.153 175.877 176.094 -0.107 0.000 1.020 458 V CA -0.568 61.683 62.300 -0.081 0.000 0.850 458 V CB 1.396 33.166 31.823 -0.087 0.000 0.987 458 V HN 0.683 nan 8.190 nan 0.000 0.436 459 I N 3.590 124.094 120.570 -0.109 0.000 2.433 459 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 459 I C 0.035 176.030 176.117 -0.203 0.000 1.001 459 I CA -0.229 60.994 61.300 -0.127 0.000 1.119 459 I CB 2.327 40.292 38.000 -0.059 0.000 1.289 459 I HN 0.503 nan 8.210 nan 0.000 0.438 460 T N 5.166 119.506 114.554 -0.356 0.000 2.794 460 T HA 0.559 4.909 4.350 -0.000 0.000 0.280 460 T C -0.437 173.990 174.700 -0.454 0.000 0.987 460 T CA -0.440 61.307 62.100 -0.589 0.000 0.993 460 T CB 0.964 69.155 68.868 -1.128 0.000 0.939 460 T HN 0.796 nan 8.240 nan 0.000 0.449 461 C N 2.311 121.470 119.300 -0.234 0.000 3.239 461 C HA 0.642 5.101 4.460 -0.000 0.000 0.317 461 C C 1.193 176.251 174.990 0.113 0.000 1.310 461 C CA -0.905 58.170 59.018 0.095 0.000 1.371 461 C CB 1.421 29.213 27.740 0.086 0.000 1.714 461 C HN 0.809 nan 8.230 nan 0.000 0.473 462 Q N 2.081 121.993 119.800 0.186 0.000 2.008 462 Q HA 0.255 4.594 4.340 -0.000 0.000 0.196 462 Q C 0.997 176.976 176.000 -0.035 0.000 0.973 462 Q CA 2.144 57.924 55.803 -0.039 0.000 0.826 462 Q CB -0.525 27.951 28.738 -0.437 0.000 0.894 462 Q HN 1.178 nan 8.270 nan 0.000 0.439 463 G N 0.140 108.948 108.800 0.014 0.000 2.428 463 G HA2 0.355 4.315 3.960 -0.000 0.000 0.320 463 G HA3 0.355 4.315 3.960 -0.000 0.000 0.320 463 G C 0.003 174.918 174.900 0.024 0.000 1.098 463 G CA -0.149 44.959 45.100 0.012 0.000 0.984 463 G HN 0.268 nan 8.290 nan 0.000 0.444 464 S N 2.017 117.720 115.700 0.005 0.000 2.382 464 S HA -0.123 4.347 4.470 -0.000 0.000 0.228 464 S C 2.067 176.674 174.600 0.011 0.000 1.027 464 S CA 1.371 59.572 58.200 0.002 0.000 0.991 464 S CB -0.011 63.180 63.200 -0.014 0.000 0.823 464 S HN 0.642 nan 8.310 nan 0.000 0.469 465 D N 1.304 121.712 120.400 0.012 0.000 2.097 465 D HA -0.084 4.556 4.640 -0.000 0.000 0.195 465 D C 1.646 177.961 176.300 0.026 0.000 0.989 465 D CA 1.076 55.086 54.000 0.016 0.000 0.827 465 D CB -0.489 40.320 40.800 0.014 0.000 0.966 465 D HN 0.312 nan 8.370 nan 0.000 0.456 466 D N 0.121 120.543 120.400 0.035 0.000 2.117 466 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 466 D C 2.156 178.484 176.300 0.047 0.000 0.982 466 D CA 0.349 54.377 54.000 0.046 0.000 0.828 466 D CB -0.085 40.750 40.800 0.059 0.000 0.967 466 D HN 0.185 nan 8.370 nan 0.000 0.464 467 I N 0.654 121.252 120.570 0.046 0.000 2.315 467 I HA -0.156 4.013 4.170 -0.000 0.000 0.248 467 I C 2.437 178.574 176.117 0.033 0.000 1.117 467 I CA 0.726 62.053 61.300 0.044 0.000 1.404 467 I CB -0.915 37.113 38.000 0.046 0.000 1.071 467 I HN 0.021 nan 8.210 nan 0.000 0.419 468 R N 1.473 121.988 120.500 0.024 0.000 2.083 468 R HA -0.233 4.107 4.340 -0.000 0.000 0.237 468 R C 2.361 178.675 176.300 0.023 0.000 1.137 468 R CA 1.958 58.069 56.100 0.018 0.000 0.951 468 R CB -0.143 30.164 30.300 0.011 0.000 0.851 468 R HN 0.205 nan 8.270 nan 0.000 0.434 469 K N 0.090 120.506 120.400 0.027 0.000 2.032 469 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 469 K C 2.099 178.720 176.600 0.035 0.000 1.048 469 K CA 1.570 57.874 56.287 0.030 0.000 0.927 469 K CB -0.238 32.282 32.500 0.033 0.000 0.712 469 K HN 0.146 nan 8.250 nan 0.000 0.441 470 L N 1.316 122.563 121.223 0.041 0.000 2.017 470 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 470 L C 1.889 178.786 176.870 0.044 0.000 1.073 470 L CA 1.621 56.489 54.840 0.047 0.000 0.745 470 L CB -0.409 41.682 42.059 0.053 0.000 0.894 470 L HN 0.234 nan 8.230 nan 0.000 0.432 471 L N -0.773 120.474 121.223 0.039 0.000 2.046 471 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 471 L C 2.556 179.443 176.870 0.028 0.000 1.077 471 L CA 1.550 56.411 54.840 0.035 0.000 0.747 471 L CB -0.754 41.322 42.059 0.027 0.000 0.896 471 L HN 0.369 nan 8.230 nan 0.000 0.432 472 E N 0.107 120.322 120.200 0.024 0.000 2.085 472 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 472 E C 2.320 178.934 176.600 0.023 0.000 0.994 472 E CA 1.762 58.174 56.400 0.021 0.000 0.801 472 E CB -0.126 29.585 29.700 0.018 0.000 0.743 472 E HN 0.532 nan 8.360 nan 0.000 0.453 473 S N 0.672 116.389 115.700 0.029 0.000 2.423 473 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 473 S C 1.669 176.288 174.600 0.031 0.000 1.014 473 S CA 0.767 58.985 58.200 0.030 0.000 0.965 473 S CB 0.053 63.275 63.200 0.036 0.000 0.785 473 S HN 0.114 nan 8.310 nan 0.000 0.495 474 Q N 0.690 120.510 119.800 0.034 0.000 2.280 474 Q HA 0.303 4.643 4.340 -0.000 0.000 0.202 474 Q C 1.230 177.244 176.000 0.024 0.000 0.903 474 Q CA 0.551 56.373 55.803 0.033 0.000 0.948 474 Q CB 0.029 28.793 28.738 0.043 0.000 1.058 474 Q HN 0.809 nan 8.270 nan 0.000 0.493 475 G N 1.953 110.766 108.800 0.021 0.000 2.136 475 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.242 475 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.242 475 G C 0.104 175.013 174.900 0.014 0.000 0.989 475 G CA -0.224 44.885 45.100 0.016 0.000 0.682 475 G HN 0.133 nan 8.290 nan 0.000 0.522 476 R N 0.270 120.779 120.500 0.016 0.000 3.057 476 R HA 0.284 4.624 4.340 -0.000 0.000 0.291 476 R C 1.214 177.520 176.300 0.010 0.000 1.394 476 R CA -0.532 55.576 56.100 0.013 0.000 1.630 476 R CB 0.351 30.660 30.300 0.016 0.000 1.268 476 R HN 0.377 nan 8.270 nan 0.000 0.621 477 K N 0.602 121.007 120.400 0.008 0.000 2.432 477 K HA -0.081 4.239 4.320 -0.000 0.000 0.196 477 K C 1.003 177.603 176.600 0.001 0.000 1.038 477 K CA 0.899 57.189 56.287 0.005 0.000 0.986 477 K CB 0.399 32.902 32.500 0.005 0.000 0.782 477 K HN 0.396 nan 8.250 nan 0.000 0.485 478 D N 0.904 121.304 120.400 -0.000 0.000 2.312 478 D HA -0.111 4.529 4.640 -0.000 0.000 0.211 478 D C 0.735 177.030 176.300 -0.008 0.000 0.964 478 D CA 0.356 54.354 54.000 -0.004 0.000 0.877 478 D CB -0.044 40.754 40.800 -0.003 0.000 0.924 478 D HN 0.136 nan 8.370 nan 0.000 0.515 479 I N 1.480 122.046 120.570 -0.007 0.000 2.396 479 I HA 0.021 4.191 4.170 -0.000 0.000 0.289 479 I C 0.806 176.912 176.117 -0.019 0.000 1.056 479 I CA -0.442 60.851 61.300 -0.012 0.000 1.365 479 I CB 0.859 38.854 38.000 -0.007 0.000 1.407 479 I HN -0.182 nan 8.210 nan 0.000 0.509 480 K N 7.507 127.890 120.400 -0.028 0.000 2.350 480 K HA 0.416 4.736 4.320 -0.000 0.000 0.279 480 K C -1.095 175.475 176.600 -0.049 0.000 1.027 480 K CA -0.270 55.995 56.287 -0.036 0.000 0.969 480 K CB 0.629 33.105 32.500 -0.040 0.000 0.954 480 K HN 0.546 nan 8.250 nan 0.000 0.474 481 L N 5.872 127.065 121.223 -0.050 0.000 2.346 481 L HA 0.492 4.832 4.340 -0.000 0.000 0.276 481 L C -0.363 176.459 176.870 -0.081 0.000 1.006 481 L CA -1.013 53.789 54.840 -0.065 0.000 0.817 481 L CB 1.729 43.762 42.059 -0.043 0.000 1.272 481 L HN 0.580 nan 8.230 nan 0.000 0.421 482 I N 2.016 122.514 120.570 -0.120 0.000 2.339 482 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 482 I C -0.399 175.637 176.117 -0.134 0.000 0.994 482 I CA -0.374 60.847 61.300 -0.131 0.000 1.191 482 I CB 1.676 39.570 38.000 -0.176 0.000 1.343 482 I HN 0.505 nan 8.210 nan 0.000 0.458 483 D N 6.518 126.864 120.400 -0.089 0.000 2.295 483 D HA 0.172 4.812 4.640 -0.000 0.000 0.248 483 D C 0.848 177.106 176.300 -0.070 0.000 1.154 483 D CA -0.203 53.754 54.000 -0.071 0.000 0.857 483 D CB 1.402 42.176 40.800 -0.044 0.000 1.117 483 D HN 0.305 nan 8.370 nan 0.000 0.468 484 I N 3.276 123.807 120.570 -0.064 0.000 2.500 484 I HA -0.055 4.115 4.170 -0.000 0.000 0.252 484 I C 1.454 177.562 176.117 -0.014 0.000 1.142 484 I CA 0.746 62.033 61.300 -0.021 0.000 1.451 484 I CB -1.372 36.677 38.000 0.083 0.000 1.093 484 I HN 0.694 nan 8.210 nan 0.000 0.430 485 A N 0.927 123.724 122.820 -0.039 0.000 2.739 485 A HA -0.214 4.106 4.320 -0.000 0.000 0.296 485 A C 0.369 177.926 177.584 -0.046 0.000 1.488 485 A CA 0.278 52.289 52.037 -0.044 0.000 0.746 485 A CB -2.429 16.553 19.000 -0.029 0.000 1.047 485 A HN 0.351 nan 8.150 nan 0.000 0.477 486 L N 0.998 122.174 121.223 -0.078 0.000 2.397 486 L HA 0.415 4.755 4.340 -0.000 0.000 0.271 486 L C 1.463 178.285 176.870 -0.080 0.000 1.148 486 L CA 0.256 55.051 54.840 -0.075 0.000 0.825 486 L CB 1.306 43.296 42.059 -0.115 0.000 1.117 486 L HN 0.807 nan 8.230 nan 0.000 0.456 487 S N 2.052 117.726 115.700 -0.045 0.000 2.576 487 S HA -0.001 4.469 4.470 -0.000 0.000 0.272 487 S C 1.050 175.626 174.600 -0.040 0.000 1.352 487 S CA -0.330 57.849 58.200 -0.036 0.000 1.021 487 S CB 0.852 64.041 63.200 -0.018 0.000 0.887 487 S HN 0.767 nan 8.310 nan 0.000 0.542 488 K N 1.069 121.453 120.400 -0.027 0.000 2.059 488 K HA -0.176 4.143 4.320 -0.000 0.000 0.212 488 K C 1.936 178.539 176.600 0.005 0.000 1.050 488 K CA 2.136 58.416 56.287 -0.011 0.000 0.927 488 K CB -0.958 31.546 32.500 0.006 0.000 0.714 488 K HN 0.791 nan 8.250 nan 0.000 0.447 489 T N 1.290 115.845 114.554 0.002 0.000 2.737 489 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 489 T C 1.212 175.914 174.700 0.003 0.000 1.038 489 T CA 1.592 63.694 62.100 0.004 0.000 1.144 489 T CB -0.296 68.570 68.868 -0.003 0.000 0.866 489 T HN 0.324 nan 8.240 nan 0.000 0.434 490 D N 0.739 121.140 120.400 0.001 0.000 2.178 490 D HA -0.023 4.617 4.640 -0.000 0.000 0.202 490 D C 2.300 178.625 176.300 0.042 0.000 0.974 490 D CA 0.622 54.628 54.000 0.011 0.000 0.841 490 D CB -0.544 40.264 40.800 0.013 0.000 0.953 490 D HN 0.211 nan 8.370 nan 0.000 0.478 491 S N -0.086 115.631 115.700 0.029 0.000 2.380 491 S HA -0.164 4.306 4.470 -0.000 0.000 0.229 491 S C 1.479 176.222 174.600 0.238 0.000 1.043 491 S CA 1.238 59.483 58.200 0.074 0.000 1.038 491 S CB 0.084 63.280 63.200 -0.008 0.000 0.872 491 S HN 0.205 nan 8.310 nan 0.000 0.456 492 R N -0.232 120.348 120.500 0.133 0.000 2.613 492 R HA 0.264 4.604 4.340 -0.000 0.000 0.361 492 R C 1.622 177.944 176.300 0.037 0.000 1.072 492 R CA -0.150 56.017 56.100 0.113 0.000 1.089 492 R CB 0.209 30.569 30.300 0.101 0.000 1.343 492 R HN 0.292 nan 8.270 nan 0.000 0.571 493 K N 0.415 120.806 120.400 -0.015 0.000 2.074 493 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 493 K C 0.389 176.802 176.600 -0.312 0.000 1.048 493 K CA 1.665 57.829 56.287 -0.205 0.000 0.926 493 K CB 0.061 32.356 32.500 -0.342 0.000 0.713 493 K HN 0.201 nan 8.250 nan 0.000 0.444 494 Y N 0.653 120.961 120.300 0.013 0.000 2.532 494 Y HA 0.131 4.681 4.550 -0.000 0.000 0.283 494 Y C 1.668 177.561 175.900 -0.012 0.000 1.181 494 Y CA -0.138 57.958 58.100 -0.007 0.000 1.256 494 Y CB 0.232 38.675 38.460 -0.028 0.000 1.112 494 Y HN 0.253 nan 8.280 nan 0.000 0.521 495 E N 0.665 120.927 120.200 0.103 0.000 2.051 495 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 495 E C 1.547 178.278 176.600 0.219 0.000 0.991 495 E CA 1.531 58.011 56.400 0.133 0.000 0.799 495 E CB 0.108 29.900 29.700 0.154 0.000 0.748 495 E HN 0.378 nan 8.360 nan 0.000 0.449 496 N N 0.310 119.104 118.700 0.157 0.000 2.188 496 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 496 N C 1.642 177.234 175.510 0.137 0.000 1.018 496 N CA 1.247 54.390 53.050 0.154 0.000 0.858 496 N CB -0.411 38.120 38.487 0.073 0.000 0.989 496 N HN 0.256 nan 8.380 nan 0.000 0.426 497 A N 0.705 123.594 122.820 0.114 0.000 1.902 497 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 497 A C 2.524 180.132 177.584 0.040 0.000 1.181 497 A CA 1.282 53.375 52.037 0.093 0.000 0.623 497 A CB -0.738 18.367 19.000 0.175 0.000 0.818 497 A HN 0.103 nan 8.150 nan 0.000 0.443 498 V N -2.181 117.755 119.914 0.037 0.000 2.270 498 V HA -0.280 3.840 4.120 -0.000 0.000 0.245 498 V C 2.269 178.326 176.094 -0.061 0.000 1.043 498 V CA 1.858 64.135 62.300 -0.037 0.000 1.014 498 V CB -1.043 30.660 31.823 -0.200 0.000 0.645 498 V HN 0.803 nan 8.190 nan 0.000 0.447 499 W N 0.228 121.507 121.300 -0.036 0.000 2.363 499 W HA -0.137 4.523 4.660 -0.000 0.000 0.296 499 W C 2.311 178.787 176.519 -0.071 0.000 1.212 499 W CA 1.172 58.485 57.345 -0.054 0.000 1.260 499 W CB -0.401 29.023 29.460 -0.060 0.000 1.131 499 W HN 0.265 nan 8.180 nan 0.000 0.530 500 D N -0.530 119.953 120.400 0.139 0.000 2.123 500 D HA -0.242 4.398 4.640 -0.000 0.000 0.196 500 D C 1.935 178.188 176.300 -0.079 0.000 0.992 500 D CA 1.578 55.596 54.000 0.030 0.000 0.833 500 D CB -0.537 40.268 40.800 0.009 0.000 0.954 500 D HN 0.301 nan 8.370 nan 0.000 0.455 501 Q N -1.330 118.339 119.800 -0.219 0.000 2.163 501 Q HA -0.079 4.260 4.340 -0.000 0.000 0.198 501 Q C 0.619 176.273 176.000 -0.577 0.000 0.954 501 Q CA 0.829 56.319 55.803 -0.521 0.000 0.851 501 Q CB 0.224 28.426 28.738 -0.893 0.000 0.928 501 Q HN 0.299 nan 8.270 nan 0.000 0.459 502 Y N -0.843 119.393 120.300 -0.106 0.000 2.641 502 Y HA 0.224 4.774 4.550 -0.000 0.000 0.248 502 Y C 1.235 177.054 175.900 -0.135 0.000 1.170 502 Y CA -0.324 57.673 58.100 -0.171 0.000 1.201 502 Y CB 0.558 38.816 38.460 -0.338 0.000 1.232 502 Y HN 0.013 nan 8.280 nan 0.000 0.537 503 K N 1.327 121.786 120.400 0.098 0.000 2.103 503 K HA -0.226 4.094 4.320 -0.000 0.000 0.207 503 K C 1.453 178.057 176.600 0.007 0.000 1.048 503 K CA 2.170 58.563 56.287 0.177 0.000 0.930 503 K CB -0.245 32.376 32.500 0.202 0.000 0.716 503 K HN 0.209 nan 8.250 nan 0.000 0.444 504 D N -0.427 119.985 120.400 0.019 0.000 2.350 504 D HA -0.071 4.569 4.640 -0.000 0.000 0.216 504 D C 1.367 177.721 176.300 0.091 0.000 0.968 504 D CA 0.629 54.653 54.000 0.041 0.000 0.894 504 D CB 0.084 40.978 40.800 0.157 0.000 0.909 504 D HN 0.324 nan 8.370 nan 0.000 0.520 505 L N -0.964 120.289 121.223 0.051 0.000 2.418 505 L HA 0.116 4.456 4.340 -0.000 0.000 0.218 505 L C 0.467 177.425 176.870 0.147 0.000 1.125 505 L CA -0.001 54.887 54.840 0.081 0.000 0.835 505 L CB 0.194 42.187 42.059 -0.111 0.000 0.953 505 L HN 0.180 nan 8.230 nan 0.000 0.454 506 C N -0.459 118.898 119.300 0.094 0.000 2.607 506 C HA 0.362 4.822 4.460 -0.000 0.000 0.350 506 C C 0.741 175.835 174.990 0.174 0.000 1.101 506 C CA -0.559 58.648 59.018 0.314 0.000 1.282 506 C CB 0.720 28.697 27.740 0.394 0.000 1.825 506 C HN 0.325 nan 8.230 nan 0.000 0.460 507 H N 4.210 123.476 119.070 0.327 0.000 2.528 507 H HA 0.086 4.642 4.556 -0.000 0.000 0.282 507 H C 1.102 176.503 175.328 0.121 0.000 1.097 507 H CA -0.046 56.126 56.048 0.206 0.000 1.121 507 H CB 0.647 30.480 29.762 0.118 0.000 1.590 507 H HN 0.591 nan 8.280 nan 0.000 0.553 508 M N 0.438 120.149 119.600 0.185 0.000 2.514 508 M HA 0.005 4.484 4.480 -0.000 0.000 0.258 508 M C 0.275 176.441 176.300 -0.222 0.000 1.119 508 M CA 0.786 56.007 55.300 -0.133 0.000 1.111 508 M CB 0.106 32.482 32.600 -0.372 0.000 1.390 508 M HN 0.124 nan 8.290 nan 0.000 0.475 509 H N 0.119 119.282 119.070 0.155 0.000 2.787 509 H HA 0.324 4.880 4.556 -0.000 0.000 0.275 509 H C 0.808 176.152 175.328 0.026 0.000 1.183 509 H CA 0.540 56.654 56.048 0.109 0.000 1.290 509 H CB 0.198 30.044 29.762 0.139 0.000 1.438 509 H HN 0.286 nan 8.280 nan 0.000 0.487 510 T N -0.526 114.073 114.554 0.075 0.000 2.955 510 T HA 0.155 4.504 4.350 -0.000 0.000 0.251 510 T C 1.278 175.976 174.700 -0.003 0.000 1.002 510 T CA -0.077 62.037 62.100 0.025 0.000 0.970 510 T CB 0.520 69.393 68.868 0.008 0.000 1.091 510 T HN 0.446 nan 8.240 nan 0.000 0.495 511 G N 1.498 110.299 108.800 0.001 0.000 2.476 511 G HA2 0.510 4.470 3.960 -0.000 0.000 0.269 511 G HA3 0.510 4.470 3.960 -0.000 0.000 0.269 511 G C -0.388 174.469 174.900 -0.071 0.000 1.195 511 G CA -0.484 44.594 45.100 -0.038 0.000 0.843 511 G HN 0.308 nan 8.290 nan 0.000 0.545 512 V N 1.294 121.154 119.914 -0.091 0.000 2.529 512 V HA 0.140 4.259 4.120 -0.000 0.000 0.292 512 V C 0.392 176.391 176.094 -0.159 0.000 1.028 512 V CA -0.044 62.187 62.300 -0.115 0.000 1.074 512 V CB 1.004 32.765 31.823 -0.103 0.000 0.958 512 V HN 0.418 nan 8.190 nan 0.000 0.481 513 V N 6.168 125.980 119.914 -0.170 0.000 2.581 513 V HA 0.677 4.797 4.120 -0.000 0.000 0.303 513 V C -0.079 175.903 176.094 -0.186 0.000 1.041 513 V CA -0.436 61.733 62.300 -0.219 0.000 0.907 513 V CB 1.967 33.651 31.823 -0.231 0.000 0.994 513 V HN 0.780 nan 8.190 nan 0.000 0.442 514 V N 1.214 121.002 119.914 -0.210 0.000 3.074 514 V HA 0.797 4.917 4.120 -0.000 0.000 0.314 514 V C -0.753 175.348 176.094 0.011 0.000 1.117 514 V CA -0.720 61.513 62.300 -0.110 0.000 1.014 514 V CB 2.101 33.850 31.823 -0.123 0.000 1.057 514 V HN 0.955 nan 8.190 nan 0.000 0.438 515 E N 1.154 121.387 120.200 0.054 0.000 2.234 515 E HA 0.430 4.780 4.350 -0.000 0.000 0.266 515 E C -0.972 175.683 176.600 0.092 0.000 0.877 515 E CA -0.854 55.608 56.400 0.104 0.000 0.758 515 E CB 2.110 31.848 29.700 0.064 0.000 1.170 515 E HN 0.766 nan 8.360 nan 0.000 0.415 516 K N 3.427 123.890 120.400 0.105 0.000 2.412 516 K HA 0.142 4.462 4.320 -0.000 0.000 0.281 516 K C 0.171 176.790 176.600 0.032 0.000 1.027 516 K CA 0.107 56.432 56.287 0.063 0.000 0.989 516 K CB 0.893 33.416 32.500 0.039 0.000 0.935 516 K HN 0.329 nan 8.250 nan 0.000 0.475 523 E N 0.979 121.180 120.200 0.000 0.000 2.367 523 E HA 0.344 4.694 4.350 -0.000 0.000 0.273 523 E C -1.201 175.382 176.600 -0.028 0.000 0.903 523 E CA -1.106 55.286 56.400 -0.013 0.000 0.764 523 E CB 2.372 32.068 29.700 -0.008 0.000 1.252 523 E HN 0.566 nan 8.360 nan 0.000 0.446 524 E N 1.552 121.728 120.200 -0.041 0.000 2.331 524 E HA 0.387 4.737 4.350 -0.000 0.000 0.272 524 E C -0.101 176.465 176.600 -0.057 0.000 1.036 524 E CA -0.324 56.039 56.400 -0.062 0.000 0.864 524 E CB 1.125 30.784 29.700 -0.068 0.000 1.035 524 E HN 0.440 nan 8.360 nan 0.000 0.408 525 I N -1.997 118.529 120.570 -0.073 0.000 3.042 525 I HA 0.433 4.603 4.170 -0.000 0.000 0.310 525 I C -0.296 175.762 176.117 -0.099 0.000 1.117 525 I CA -1.067 60.198 61.300 -0.058 0.000 1.003 525 I CB 2.117 40.106 38.000 -0.019 0.000 1.228 525 I HN 0.128 nan 8.210 nan 0.000 0.443 526 T N 3.937 118.441 114.554 -0.082 0.000 2.870 526 T HA 0.280 4.630 4.350 -0.000 0.000 0.300 526 T C -2.335 172.297 174.700 -0.113 0.000 0.989 526 T CA -0.426 61.578 62.100 -0.160 0.000 1.139 526 T CB 0.182 68.945 68.868 -0.175 0.000 0.920 526 T HN 0.450 nan 8.240 nan 0.000 0.537 527 P HA 0.077 nan 4.420 nan 0.000 0.268 527 P C -0.383 176.958 177.300 0.069 0.000 1.208 527 P CA -0.100 62.921 63.100 -0.131 0.000 0.777 527 P CB 0.245 31.896 31.700 -0.082 0.000 0.875 528 H N -0.025 119.073 119.070 0.046 0.000 2.620 528 H HA 0.365 4.921 4.556 -0.000 0.000 0.313 528 H C -0.151 175.156 175.328 -0.035 0.000 1.075 528 H CA -0.848 55.237 56.048 0.061 0.000 1.397 528 H CB 0.563 30.382 29.762 0.095 0.000 1.446 528 H HN 0.406 nan 8.280 nan 0.000 0.493 529 C N 3.373 122.674 119.300 0.002 0.000 2.379 529 C HA 0.567 5.027 4.460 -0.000 0.000 0.323 529 C C 1.751 176.673 174.990 -0.113 0.000 1.262 529 C CA -0.222 58.718 59.018 -0.130 0.000 1.581 529 C CB -0.545 27.026 27.740 -0.282 0.000 2.221 529 C HN 1.002 nan 8.230 nan 0.000 0.497 530 A N 4.068 126.885 122.820 -0.005 0.000 1.917 530 A HA -0.144 4.175 4.320 -0.000 0.000 0.219 530 A C 1.856 179.276 177.584 -0.273 0.000 1.182 530 A CA 2.217 54.198 52.037 -0.093 0.000 0.633 530 A CB -0.611 18.370 19.000 -0.032 0.000 0.819 530 A HN 1.110 nan 8.150 nan 0.000 0.448 531 L N -1.031 119.948 121.223 -0.408 0.000 2.005 531 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 531 L C 2.346 178.779 176.870 -0.730 0.000 1.072 531 L CA 2.049 56.517 54.840 -0.620 0.000 0.744 531 L CB -0.567 40.936 42.059 -0.927 0.000 0.895 531 L HN 0.300 nan 8.230 nan 0.000 0.433 532 M N -0.613 118.519 119.600 -0.780 0.000 2.149 532 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 532 M C 1.926 177.732 176.300 -0.824 0.000 1.064 532 M CA 1.329 56.075 55.300 -0.922 0.000 1.102 532 M CB -1.554 30.238 32.600 -1.346 0.000 1.369 532 M HN 0.259 nan 8.290 nan 0.000 0.408 533 D N 0.101 120.046 120.400 -0.759 0.000 2.097 533 D HA -0.116 4.524 4.640 -0.000 0.000 0.195 533 D C 2.231 177.762 176.300 -1.282 0.000 0.989 533 D CA 1.176 54.500 54.000 -1.127 0.000 0.827 533 D CB -0.456 39.847 40.800 -0.829 0.000 0.966 533 D HN 0.328 nan 8.370 nan 0.000 0.456 534 C N 0.595 119.465 119.300 -0.716 0.000 2.376 534 C HA -0.165 4.295 4.460 -0.000 0.000 0.275 534 C C 2.856 177.407 174.990 -0.733 0.000 1.200 534 C CA 0.362 59.071 59.018 -0.515 0.000 1.756 534 C CB -1.069 26.548 27.740 -0.205 0.000 2.050 534 C HN 0.352 nan 8.230 nan 0.000 0.460 535 I N 1.330 121.400 120.570 -0.833 0.000 2.202 535 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 535 I C 2.632 178.413 176.117 -0.560 0.000 1.091 535 I CA 2.105 62.916 61.300 -0.815 0.000 1.368 535 I CB -0.537 36.877 38.000 -0.977 0.000 1.058 535 I HN 0.492 nan 8.210 nan 0.000 0.410 536 M N -0.273 118.976 119.600 -0.584 0.000 2.319 536 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 536 M C 1.882 178.074 176.300 -0.180 0.000 1.068 536 M CA 1.731 56.831 55.300 -0.333 0.000 1.118 536 M CB -0.432 31.999 32.600 -0.282 0.000 1.395 536 M HN -0.051 nan 8.290 nan 0.000 0.435 537 F N 1.867 121.552 119.950 -0.441 0.000 2.113 537 F HA -0.079 4.448 4.527 -0.000 0.000 0.297 537 F C 2.190 177.593 175.800 -0.662 0.000 1.103 537 F CA 1.470 59.154 58.000 -0.528 0.000 1.248 537 F CB -1.532 37.047 39.000 -0.702 0.000 0.999 537 F HN 0.320 nan 8.300 nan 0.000 0.475 538 D N -0.006 119.902 120.400 -0.820 0.000 2.123 538 D HA -0.161 4.478 4.640 -0.000 0.000 0.196 538 D C 2.228 178.447 176.300 -0.134 0.000 0.992 538 D CA 1.416 55.160 54.000 -0.426 0.000 0.833 538 D CB -0.149 40.437 40.800 -0.357 0.000 0.954 538 D HN 0.123 nan 8.370 nan 0.000 0.455 539 A N 0.313 123.008 122.820 -0.209 0.000 1.933 539 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 539 A C 2.346 179.815 177.584 -0.192 0.000 1.175 539 A CA 2.101 53.945 52.037 -0.321 0.000 0.628 539 A CB -1.010 17.666 19.000 -0.540 0.000 0.814 539 A HN 0.329 nan 8.150 nan 0.000 0.444 540 A N -0.567 122.313 122.820 0.099 0.000 1.902 540 A HA 0.010 4.329 4.320 -0.000 0.000 0.217 540 A C 2.228 179.920 177.584 0.180 0.000 1.181 540 A CA 1.785 53.988 52.037 0.276 0.000 0.623 540 A CB -0.902 18.245 19.000 0.245 0.000 0.818 540 A HN 0.387 nan 8.150 nan 0.000 0.443 541 V N -0.176 119.829 119.914 0.151 0.000 2.358 541 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 541 V C 2.470 178.635 176.094 0.119 0.000 1.047 541 V CA 2.267 64.667 62.300 0.167 0.000 1.035 541 V CB -0.651 31.344 31.823 0.287 0.000 0.658 541 V HN 0.516 nan 8.190 nan 0.000 0.452 542 S N -0.269 115.479 115.700 0.079 0.000 2.603 542 S HA 0.208 4.678 4.470 -0.000 0.000 0.220 542 S C 1.537 176.149 174.600 0.020 0.000 0.967 542 S CA 0.647 58.871 58.200 0.040 0.000 0.920 542 S CB -0.020 63.184 63.200 0.007 0.000 0.773 542 S HN 0.922 nan 8.310 nan 0.000 0.529 543 G N 1.174 110.008 108.800 0.055 0.000 2.305 543 G HA2 0.024 3.984 3.960 -0.000 0.000 0.287 543 G HA3 0.024 3.984 3.960 -0.000 0.000 0.287 543 G C 0.256 175.177 174.900 0.035 0.000 1.036 543 G CA 0.164 45.333 45.100 0.114 0.000 0.887 543 G HN 1.027 nan 8.290 nan 0.000 0.505 544 G N -1.926 106.710 108.800 -0.273 0.000 2.361 544 G HA2 0.556 4.516 3.960 -0.000 0.000 0.299 544 G HA3 0.556 4.516 3.960 -0.000 0.000 0.299 544 G C -1.522 173.050 174.900 -0.548 0.000 1.544 544 G CA -0.245 44.597 45.100 -0.430 0.000 0.860 544 G HN 1.351 nan 8.290 nan 0.000 0.610 545 L N 2.129 123.070 121.223 -0.470 0.000 2.318 545 L HA 0.492 4.832 4.340 -0.000 0.000 0.277 545 L C 0.426 177.233 176.870 -0.106 0.000 1.008 545 L CA -1.046 53.624 54.840 -0.282 0.000 0.846 545 L CB 0.986 42.895 42.059 -0.249 0.000 1.220 545 L HN 0.753 nan 8.230 nan 0.000 0.423 546 N N 2.074 120.744 118.700 -0.049 0.000 2.399 546 N HA 0.075 4.815 4.740 -0.000 0.000 0.250 546 N C -0.744 174.777 175.510 0.017 0.000 1.272 546 N CA -0.341 52.706 53.050 -0.004 0.000 0.928 546 N CB 0.458 38.954 38.487 0.015 0.000 1.158 546 N HN 0.540 nan 8.380 nan 0.000 0.463 547 T N 0.370 114.929 114.554 0.008 0.000 2.794 547 T HA 0.317 4.666 4.350 -0.000 0.000 0.304 547 T C -0.269 174.456 174.700 0.041 0.000 0.973 547 T CA -0.391 61.706 62.100 -0.006 0.000 0.972 547 T CB -0.125 68.726 68.868 -0.028 0.000 0.952 547 T HN 0.593 nan 8.240 nan 0.000 0.509 548 S N 2.528 118.290 115.700 0.103 0.000 2.541 548 S HA 0.531 5.001 4.470 -0.000 0.000 0.271 548 S C -0.542 174.182 174.600 0.207 0.000 1.133 548 S CA -0.671 57.612 58.200 0.138 0.000 0.876 548 S CB 1.696 64.984 63.200 0.146 0.000 1.105 548 S HN 0.497 nan 8.310 nan 0.000 0.470 549 V N 5.168 125.180 119.914 0.163 0.000 2.572 549 V HA 0.415 4.535 4.120 -0.000 0.000 0.291 549 V C -0.666 175.551 176.094 0.205 0.000 1.039 549 V CA 0.103 62.517 62.300 0.190 0.000 1.055 549 V CB 0.491 32.399 31.823 0.141 0.000 0.969 549 V HN 0.793 nan 8.190 nan 0.000 0.482 550 L N 7.286 128.650 121.223 0.234 0.000 2.387 550 L HA 0.641 4.981 4.340 -0.000 0.000 0.266 550 L C 0.293 177.337 176.870 0.291 0.000 1.059 550 L CA -0.058 54.932 54.840 0.249 0.000 0.801 550 L CB 1.471 43.622 42.059 0.154 0.000 1.223 550 L HN 0.590 nan 8.230 nan 0.000 0.456 551 R N 0.898 121.556 120.500 0.263 0.000 2.513 551 R HA 0.725 5.065 4.340 -0.000 0.000 0.301 551 R C -0.956 175.220 176.300 -0.207 0.000 0.968 551 R CA -0.799 55.357 56.100 0.094 0.000 0.872 551 R CB 1.636 31.975 30.300 0.066 0.000 1.177 551 R HN 0.691 nan 8.270 nan 0.000 0.444 552 A N 2.911 125.518 122.820 -0.355 0.000 2.354 552 A HA 0.215 4.535 4.320 -0.000 0.000 0.281 552 A C 1.162 178.534 177.584 -0.354 0.000 1.174 552 A CA -0.536 51.033 52.037 -0.780 0.000 0.828 552 A CB 0.537 19.298 19.000 -0.399 0.000 1.099 552 A HN 0.637 nan 8.150 nan 0.000 0.516 553 V N 3.651 123.361 119.914 -0.340 0.000 2.379 553 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 553 V C 1.024 177.065 176.094 -0.088 0.000 1.044 553 V CA 1.303 63.519 62.300 -0.141 0.000 1.036 553 V CB -0.785 30.987 31.823 -0.086 0.000 0.664 553 V HN 0.687 nan 8.190 nan 0.000 0.453 554 L N 1.222 122.396 121.223 -0.082 0.000 2.312 554 L HA 0.366 4.706 4.340 -0.000 0.000 0.281 554 L C -2.287 174.587 176.870 0.007 0.000 1.070 554 L CA -1.890 52.932 54.840 -0.030 0.000 0.805 554 L CB 0.328 42.379 42.059 -0.013 0.000 1.174 554 L HN 0.074 nan 8.230 nan 0.000 0.434 555 P HA 0.041 nan 4.420 nan 0.000 0.266 555 P C 0.253 177.625 177.300 0.120 0.000 1.195 555 P CA -0.231 62.911 63.100 0.069 0.000 0.768 555 P CB 0.592 32.326 31.700 0.057 0.000 0.838 556 R N 2.097 122.699 120.500 0.170 0.000 2.152 556 R HA -0.165 4.175 4.340 -0.000 0.000 0.232 556 R C 0.935 177.400 176.300 0.276 0.000 1.117 556 R CA 1.350 57.606 56.100 0.261 0.000 0.981 556 R CB -0.231 30.214 30.300 0.242 0.000 0.870 556 R HN 0.446 nan 8.270 nan 0.000 0.451 557 D N 0.150 120.667 120.400 0.195 0.000 2.264 557 D HA -0.171 4.469 4.640 -0.000 0.000 0.208 557 D C 1.604 177.968 176.300 0.107 0.000 0.966 557 D CA 0.950 55.051 54.000 0.168 0.000 0.864 557 D CB 0.108 41.006 40.800 0.163 0.000 0.933 557 D HN 0.330 nan 8.370 nan 0.000 0.499 558 M N -0.627 119.020 119.600 0.079 0.000 2.447 558 M HA -0.065 4.415 4.480 -0.000 0.000 0.266 558 M C 1.755 178.065 176.300 0.017 0.000 1.120 558 M CA 0.655 55.962 55.300 0.013 0.000 1.166 558 M CB 0.330 32.911 32.600 -0.033 0.000 1.349 558 M HN -0.219 nan 8.290 nan 0.000 0.463 559 V N 0.553 120.508 119.914 0.068 0.000 2.343 559 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 559 V C 0.659 176.662 176.094 -0.152 0.000 1.051 559 V CA 1.339 63.631 62.300 -0.012 0.000 1.036 559 V CB -0.622 31.239 31.823 0.064 0.000 0.654 559 V HN 0.261 nan 8.190 nan 0.000 0.451 560 F N -0.633 119.380 119.950 0.106 0.000 2.523 560 F HA 0.661 5.188 4.527 -0.000 0.000 0.329 560 F C 0.608 176.444 175.800 0.060 0.000 1.061 560 F CA -1.073 56.980 58.000 0.088 0.000 0.967 560 F CB 1.271 40.320 39.000 0.081 0.000 1.218 560 F HN -0.016 nan 8.300 nan 0.000 0.480 561 R N 0.000 120.649 120.500 0.248 0.000 2.786 561 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 561 R CA 0.000 56.189 56.100 0.148 0.000 0.921 561 R CB 0.000 30.354 30.300 0.090 0.000 0.687 561 R HN 0.000 nan 8.270 nan 0.000 0.535