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 1mgv_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTTDDLAFDQ RHILHPYTSM TSPLPVYPVV SAEGCELILS DGRRLVDGMS DATA SEQUENCE SWWAAIHGYN HPQLNAAMKS QIDAMSHVMF GGITHAPAIE LCRKLVAMTP DATA SEQUENCE QPLECVFLAD SGSVAVEVAM KMALQYWQAK GEARQRFLTF RNGYHGDTFG DATA SEQUENCE AMSVCDPDNS MHSLWKGYLP ENLFAPAPQS RMDGEWDERD MVGFARLMAA DATA SEQUENCE HRHEIAAVII EPIVQGAGGM RMYHPEWLKR IRKICDREGI LLIADEIATG DATA SEQUENCE FGRTGKLFAC EHAEIAPDIL CLGKALTGGT MTLSATLTTR EVAETISNGE DATA SEQUENCE AGCFMHGPTF MGNPLACAAA NASLAILESG DWQQQVADIE VQLREQLAPA DATA SEQUENCE RDAEMVADVR VLGAIGVVET THPVNMAALQ KFFVEQGVWI APFGKLIYLM DATA SEQUENCE PPYIILPQQL QRLTAAVNRA VQDETFFC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.295 176.300 -0.008 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.012 0.000 0.988 1 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 2 T N -1.837 112.715 114.554 -0.004 0.000 2.862 2 T HA 0.414 4.766 4.350 0.004 0.000 0.276 2 T C 1.249 175.954 174.700 0.009 0.000 0.974 2 T CA 0.332 62.432 62.100 0.000 0.000 0.966 2 T CB 1.476 70.344 68.868 0.000 0.000 1.072 2 T HN 0.820 nan 8.240 nan 0.000 0.538 3 T N -1.811 112.749 114.554 0.009 0.000 2.951 3 T HA -0.095 4.257 4.350 0.004 0.000 0.268 3 T C 1.486 176.205 174.700 0.031 0.000 1.073 3 T CA 1.610 63.717 62.100 0.012 0.000 1.134 3 T CB -0.719 68.152 68.868 0.006 0.000 0.884 3 T HN 0.732 nan 8.240 nan 0.000 0.479 4 D N 1.367 121.788 120.400 0.036 0.000 2.144 4 D HA -0.114 4.528 4.640 0.004 0.000 0.200 4 D C 1.732 178.091 176.300 0.098 0.000 0.978 4 D CA 1.137 55.173 54.000 0.060 0.000 0.833 4 D CB -0.409 40.416 40.800 0.042 0.000 0.961 4 D HN 0.307 nan 8.370 nan 0.000 0.470 5 D N 0.044 120.486 120.400 0.069 0.000 2.092 5 D HA -0.144 4.498 4.640 0.004 0.000 0.193 5 D C 2.312 178.698 176.300 0.144 0.000 0.994 5 D CA 0.801 54.857 54.000 0.094 0.000 0.828 5 D CB -0.415 40.410 40.800 0.041 0.000 0.963 5 D HN 0.319 nan 8.370 nan 0.000 0.450 6 L N 0.595 121.867 121.223 0.081 0.000 2.079 6 L HA -0.175 4.168 4.340 0.004 0.000 0.210 6 L C 2.539 179.450 176.870 0.069 0.000 1.081 6 L CA 1.207 56.081 54.840 0.057 0.000 0.752 6 L CB -0.569 41.493 42.059 0.004 0.000 0.896 6 L HN -0.020 nan 8.230 nan 0.000 0.433 7 A N -0.143 122.728 122.820 0.085 0.000 1.930 7 A HA -0.225 4.098 4.320 0.004 0.000 0.217 7 A C 2.171 179.827 177.584 0.121 0.000 1.175 7 A CA 1.163 53.246 52.037 0.076 0.000 0.627 7 A CB -0.711 18.334 19.000 0.075 0.000 0.815 7 A HN 0.376 nan 8.150 nan 0.000 0.443 8 F N 1.208 121.208 119.950 0.084 0.000 2.102 8 F HA -0.200 4.329 4.527 0.004 0.000 0.298 8 F C 1.883 177.779 175.800 0.160 0.000 1.105 8 F CA 2.166 60.265 58.000 0.166 0.000 1.239 8 F CB -0.403 38.664 39.000 0.112 0.000 0.991 8 F HN 0.413 nan 8.300 nan 0.000 0.474 9 D N -0.442 120.076 120.400 0.197 0.000 2.104 9 D HA -0.303 4.339 4.640 0.004 0.000 0.194 9 D C 2.238 178.560 176.300 0.036 0.000 0.994 9 D CA 1.793 55.875 54.000 0.136 0.000 0.830 9 D CB -0.351 40.559 40.800 0.184 0.000 0.959 9 D HN 0.518 nan 8.370 nan 0.000 0.452 10 Q N -0.575 119.224 119.800 -0.001 0.000 2.084 10 Q HA -0.180 4.163 4.340 0.004 0.000 0.202 10 Q C 2.191 178.125 176.000 -0.111 0.000 0.978 10 Q CA 1.238 57.016 55.803 -0.042 0.000 0.844 10 Q CB 0.015 28.725 28.738 -0.046 0.000 0.898 10 Q HN 0.115 nan 8.270 nan 0.000 0.426 11 R N -1.627 118.746 120.500 -0.210 0.000 2.189 11 R HA 0.020 4.362 4.340 0.004 0.000 0.203 11 R C 1.364 177.303 176.300 -0.601 0.000 1.012 11 R CA 1.027 56.894 56.100 -0.390 0.000 1.015 11 R CB 0.347 30.371 30.300 -0.459 0.000 0.938 11 R HN 0.372 nan 8.270 nan 0.000 0.472 12 H N -1.409 117.433 119.070 -0.380 0.000 3.058 12 H HA 0.270 4.828 4.556 0.004 0.000 0.258 12 H C -0.100 175.064 175.328 -0.273 0.000 1.015 12 H CA 0.110 55.896 56.048 -0.437 0.000 1.210 12 H CB 1.087 30.285 29.762 -0.941 0.000 1.481 12 H HN 0.046 nan 8.280 nan 0.000 0.492 13 I N 2.700 123.216 120.570 -0.091 0.000 2.328 13 I HA 0.104 4.277 4.170 0.004 0.000 0.287 13 I C -0.504 175.640 176.117 0.045 0.000 1.012 13 I CA -0.767 60.529 61.300 -0.007 0.000 1.195 13 I CB 1.515 39.542 38.000 0.044 0.000 1.350 13 I HN -0.198 nan 8.210 nan 0.000 0.464 14 L N 7.063 128.287 121.223 0.002 0.000 2.461 14 L HA 0.200 4.543 4.340 0.004 0.000 0.272 14 L C 0.423 177.273 176.870 -0.033 0.000 1.197 14 L CA 0.676 55.538 54.840 0.036 0.000 0.836 14 L CB -0.099 41.966 42.059 0.010 0.000 1.105 14 L HN 0.468 nan 8.230 nan 0.000 0.477 15 H N 1.449 120.558 119.070 0.064 0.000 2.771 15 H HA 0.399 4.957 4.556 0.004 0.000 0.367 15 H C -2.081 173.324 175.328 0.128 0.000 1.172 15 H CA -1.861 54.254 56.048 0.112 0.000 1.186 15 H CB 1.470 31.310 29.762 0.130 0.000 1.790 15 H HN 0.380 nan 8.280 nan 0.000 0.556 16 P HA -0.068 nan 4.420 nan 0.000 0.261 16 P C -0.780 176.709 177.300 0.316 0.000 1.183 16 P CA 0.414 63.682 63.100 0.280 0.000 0.761 16 P CB -0.271 31.698 31.700 0.449 0.000 0.785 17 Y N -0.219 120.155 120.300 0.124 0.000 2.986 17 Y HA -0.206 4.347 4.550 0.004 0.000 0.200 17 Y C 0.827 176.801 175.900 0.123 0.000 1.324 17 Y CA 1.251 59.414 58.100 0.105 0.000 0.825 17 Y CB -1.924 36.573 38.460 0.061 0.000 1.251 17 Y HN 0.381 nan 8.280 nan 0.000 0.413 18 T N -0.146 114.527 114.554 0.198 0.000 2.957 18 T HA 0.482 4.835 4.350 0.004 0.000 0.336 18 T C -0.515 174.250 174.700 0.109 0.000 1.462 18 T CA -0.178 62.020 62.100 0.163 0.000 1.073 18 T CB 1.451 70.424 68.868 0.175 0.000 1.319 18 T HN 0.340 nan 8.240 nan 0.000 0.485 19 S N 2.936 118.687 115.700 0.085 0.000 2.585 19 S HA 0.337 4.809 4.470 0.004 0.000 0.273 19 S C 1.293 175.918 174.600 0.041 0.000 1.339 19 S CA -0.549 57.684 58.200 0.055 0.000 1.028 19 S CB 0.452 63.678 63.200 0.043 0.000 0.906 19 S HN 0.666 nan 8.310 nan 0.000 0.528 20 M N 2.390 122.004 119.600 0.024 0.000 2.552 20 M HA 0.023 4.506 4.480 0.004 0.000 0.264 20 M C 2.333 178.625 176.300 -0.014 0.000 1.159 20 M CA 1.435 56.738 55.300 0.005 0.000 1.176 20 M CB -1.804 30.793 32.600 -0.005 0.000 1.327 20 M HN 0.928 nan 8.290 nan 0.000 0.481 21 T N -2.872 111.676 114.554 -0.010 0.000 2.857 21 T HA 0.005 4.358 4.350 0.004 0.000 0.266 21 T C 1.386 176.080 174.700 -0.011 0.000 1.048 21 T CA 1.047 63.138 62.100 -0.016 0.000 1.139 21 T CB -0.212 68.649 68.868 -0.011 0.000 0.874 21 T HN 0.155 nan 8.240 nan 0.000 0.455 22 S N 2.674 118.374 115.700 0.001 0.000 2.312 22 S HA 0.460 4.932 4.470 0.004 0.000 0.211 22 S C -2.546 172.061 174.600 0.011 0.000 1.315 22 S CA -1.525 56.678 58.200 0.004 0.000 1.267 22 S CB -0.286 62.921 63.200 0.010 0.000 1.072 22 S HN 0.301 nan 8.310 nan 0.000 0.490 23 P HA 0.102 nan 4.420 nan 0.000 0.271 23 P C -0.840 176.460 177.300 -0.000 0.000 1.233 23 P CA 0.013 63.114 63.100 0.001 0.000 0.795 23 P CB 0.471 32.159 31.700 -0.021 0.000 0.936 24 L N 1.149 122.370 121.223 -0.002 0.000 2.381 24 L HA 0.451 4.793 4.340 0.004 0.000 0.268 24 L C -2.114 174.733 176.870 -0.038 0.000 0.997 24 L CA -2.354 52.487 54.840 0.001 0.000 0.818 24 L CB 1.458 43.541 42.059 0.040 0.000 1.310 24 L HN 0.243 nan 8.230 nan 0.000 0.416 25 P HA 0.004 nan 4.420 nan 0.000 0.268 25 P C -1.012 176.176 177.300 -0.187 0.000 1.189 25 P CA -0.066 62.935 63.100 -0.164 0.000 0.771 25 P CB 0.411 31.989 31.700 -0.204 0.000 0.822 26 V N -0.374 119.351 119.914 -0.314 0.000 2.925 26 V HA 0.551 4.673 4.120 0.004 0.000 0.311 26 V C -1.499 174.364 176.094 -0.385 0.000 1.104 26 V CA -0.979 61.187 62.300 -0.224 0.000 0.954 26 V CB 1.853 33.533 31.823 -0.237 0.000 1.022 26 V HN 0.279 nan 8.190 nan 0.000 0.427 27 Y N 2.980 123.240 120.300 -0.067 0.000 2.331 27 Y HA 0.679 5.232 4.550 0.004 0.000 0.338 27 Y C -2.142 173.661 175.900 -0.161 0.000 0.976 27 Y CA -2.494 55.539 58.100 -0.112 0.000 1.137 27 Y CB 1.247 39.620 38.460 -0.146 0.000 1.172 27 Y HN 0.517 nan 8.280 nan 0.000 0.478 28 P HA 0.079 nan 4.420 nan 0.000 0.266 28 P C -0.869 176.384 177.300 -0.079 0.000 1.215 28 P CA 0.052 63.128 63.100 -0.041 0.000 0.763 28 P CB 0.515 32.198 31.700 -0.029 0.000 0.806 29 V N 4.346 124.191 119.914 -0.116 0.000 2.459 29 V HA 0.138 4.260 4.120 0.004 0.000 0.295 29 V C 1.375 177.399 176.094 -0.115 0.000 1.029 29 V CA -0.331 61.873 62.300 -0.161 0.000 0.874 29 V CB 1.800 33.475 31.823 -0.248 0.000 0.985 29 V HN 0.446 nan 8.190 nan 0.000 0.438 30 V N 1.458 121.307 119.914 -0.108 0.000 3.085 30 V HA 0.378 4.500 4.120 0.004 0.000 0.245 30 V C 0.649 176.692 176.094 -0.084 0.000 1.114 30 V CA 1.001 63.254 62.300 -0.079 0.000 1.108 30 V CB 0.210 31.997 31.823 -0.061 0.000 0.798 30 V HN 0.898 nan 8.190 nan 0.000 0.471 31 S N -1.005 114.628 115.700 -0.113 0.000 2.703 31 S HA 0.888 5.360 4.470 0.004 0.000 0.273 31 S C -0.860 173.640 174.600 -0.167 0.000 1.178 31 S CA -0.165 57.971 58.200 -0.108 0.000 0.838 31 S CB 1.432 64.590 63.200 -0.071 0.000 1.178 31 S HN 1.884 nan 8.310 nan 0.000 0.494 32 A N 0.270 123.001 122.820 -0.147 0.000 2.594 32 A HA 0.828 5.150 4.320 0.004 0.000 0.296 32 A C -1.237 176.317 177.584 -0.050 0.000 1.061 32 A CA -0.156 51.750 52.037 -0.218 0.000 0.689 32 A CB 1.521 20.201 19.000 -0.533 0.000 1.280 32 A HN 1.266 nan 8.150 nan 0.000 0.406 33 E N 1.514 121.710 120.200 -0.006 0.000 2.354 33 E HA 0.517 4.869 4.350 0.004 0.000 0.283 33 E C 0.453 177.114 176.600 0.101 0.000 0.938 33 E CA -0.009 56.429 56.400 0.063 0.000 0.777 33 E CB 1.441 31.149 29.700 0.012 0.000 1.222 33 E HN 2.472 nan 8.360 nan 0.000 0.423 34 G N 2.541 111.417 108.800 0.126 0.000 2.622 34 G HA2 -0.379 3.583 3.960 0.004 0.000 0.307 34 G HA3 -0.379 3.583 3.960 0.004 0.000 0.307 34 G C 0.636 175.649 174.900 0.189 0.000 1.226 34 G CA 0.359 45.530 45.100 0.118 0.000 0.997 34 G HN 0.761 nan 8.290 nan 0.000 0.551 35 C N 2.070 121.455 119.300 0.142 0.000 2.688 35 C HA 0.544 5.007 4.460 0.004 0.000 0.297 35 C C 0.697 175.764 174.990 0.129 0.000 1.308 35 C CA -0.060 59.056 59.018 0.164 0.000 1.726 35 C CB -1.577 26.224 27.740 0.101 0.000 1.982 35 C HN 0.442 nan 8.230 nan 0.000 0.604 36 E N 0.269 120.517 120.200 0.080 0.000 2.238 36 E HA 0.583 4.935 4.350 0.004 0.000 0.267 36 E C -0.966 175.541 176.600 -0.155 0.000 0.887 36 E CA -0.356 56.029 56.400 -0.026 0.000 0.769 36 E CB 1.711 31.394 29.700 -0.028 0.000 1.187 36 E HN 0.297 nan 8.360 nan 0.000 0.416 37 L N 2.875 123.966 121.223 -0.220 0.000 2.334 37 L HA 0.593 4.935 4.340 0.004 0.000 0.272 37 L C -0.384 176.350 176.870 -0.226 0.000 1.020 37 L CA -0.887 53.752 54.840 -0.335 0.000 0.812 37 L CB 1.099 42.903 42.059 -0.426 0.000 1.264 37 L HN 0.401 nan 8.230 nan 0.000 0.439 38 I N 2.764 123.204 120.570 -0.218 0.000 2.439 38 I HA 0.330 4.503 4.170 0.004 0.000 0.285 38 I C -0.197 175.833 176.117 -0.146 0.000 1.021 38 I CA -0.392 60.819 61.300 -0.149 0.000 1.091 38 I CB 1.660 39.593 38.000 -0.112 0.000 1.242 38 I HN 0.355 nan 8.210 nan 0.000 0.439 39 L N 3.851 125.002 121.223 -0.120 0.000 2.466 39 L HA 0.272 4.614 4.340 0.004 0.000 0.257 39 L C 1.620 178.453 176.870 -0.062 0.000 1.189 39 L CA -0.171 54.614 54.840 -0.091 0.000 0.813 39 L CB 0.744 42.772 42.059 -0.053 0.000 1.118 39 L HN 0.627 nan 8.230 nan 0.000 0.471 40 S N 0.485 116.157 115.700 -0.046 0.000 2.402 40 S HA -0.175 4.297 4.470 0.004 0.000 0.233 40 S C 1.116 175.700 174.600 -0.025 0.000 1.030 40 S CA 1.744 59.923 58.200 -0.034 0.000 1.003 40 S CB -0.360 62.825 63.200 -0.025 0.000 0.813 40 S HN 0.885 nan 8.310 nan 0.000 0.477 41 D N -0.598 119.791 120.400 -0.018 0.000 2.328 41 D HA 0.248 4.890 4.640 0.004 0.000 0.226 41 D C 1.174 177.464 176.300 -0.018 0.000 1.066 41 D CA 0.743 54.735 54.000 -0.012 0.000 0.861 41 D CB -0.471 40.329 40.800 0.000 0.000 0.912 41 D HN 0.368 nan 8.370 nan 0.000 0.521 42 G N 0.286 109.070 108.800 -0.028 0.000 2.195 42 G HA2 -0.303 3.659 3.960 0.004 0.000 0.246 42 G HA3 -0.303 3.659 3.960 0.004 0.000 0.246 42 G C 0.302 175.181 174.900 -0.035 0.000 0.984 42 G CA -0.217 44.865 45.100 -0.031 0.000 0.633 42 G HN 0.418 nan 8.290 nan 0.000 0.525 43 R N 0.839 121.318 120.500 -0.035 0.000 2.489 43 R HA 0.381 4.723 4.340 0.004 0.000 0.287 43 R C 0.334 176.598 176.300 -0.060 0.000 1.053 43 R CA 0.102 56.178 56.100 -0.040 0.000 1.036 43 R CB 0.390 30.670 30.300 -0.032 0.000 0.966 43 R HN 0.334 nan 8.270 nan 0.000 0.432 44 R N 3.325 123.791 120.500 -0.056 0.000 2.346 44 R HA 0.410 4.752 4.340 0.004 0.000 0.311 44 R C -0.455 175.805 176.300 -0.065 0.000 0.983 44 R CA -0.537 55.524 56.100 -0.066 0.000 0.880 44 R CB 1.095 31.364 30.300 -0.050 0.000 1.100 44 R HN 0.339 nan 8.270 nan 0.000 0.453 45 L N 2.800 123.975 121.223 -0.081 0.000 2.341 45 L HA 0.447 4.789 4.340 0.004 0.000 0.278 45 L C -0.281 176.566 176.870 -0.038 0.000 1.005 45 L CA -1.337 53.468 54.840 -0.058 0.000 0.818 45 L CB 2.165 44.189 42.059 -0.059 0.000 1.259 45 L HN 0.296 nan 8.230 nan 0.000 0.418 46 V N 1.411 121.314 119.914 -0.018 0.000 2.479 46 V HA -0.011 4.111 4.120 0.004 0.000 0.281 46 V C 0.031 176.139 176.094 0.024 0.000 1.031 46 V CA -0.047 62.252 62.300 -0.001 0.000 1.038 46 V CB 1.076 32.892 31.823 -0.012 0.000 0.981 46 V HN 0.667 nan 8.190 nan 0.000 0.478 47 D N 4.358 124.794 120.400 0.060 0.000 2.336 47 D HA 0.310 4.952 4.640 0.004 0.000 0.249 47 D C 1.044 177.376 176.300 0.053 0.000 1.213 47 D CA 0.222 54.291 54.000 0.115 0.000 0.870 47 D CB 1.412 42.337 40.800 0.208 0.000 1.076 47 D HN 0.583 nan 8.370 nan 0.000 0.483 48 G N 3.256 112.036 108.800 -0.034 0.000 3.042 48 G HA2 -0.013 3.949 3.960 0.004 0.000 0.212 48 G HA3 -0.013 3.949 3.960 0.004 0.000 0.212 48 G C 0.875 175.686 174.900 -0.149 0.000 1.166 48 G CA -0.005 45.023 45.100 -0.121 0.000 0.767 48 G HN 0.443 nan 8.290 nan 0.000 0.546 49 M N -0.384 119.165 119.600 -0.084 0.000 2.338 49 M HA 0.246 4.728 4.480 0.004 0.000 0.276 49 M C 1.337 177.631 176.300 -0.010 0.000 1.057 49 M CA -0.013 55.215 55.300 -0.120 0.000 1.079 49 M CB -0.186 32.311 32.600 -0.172 0.000 1.547 49 M HN 0.098 nan 8.290 nan 0.000 0.549 50 S N 1.278 117.012 115.700 0.058 0.000 3.587 50 S HA -0.148 4.324 4.470 0.004 0.000 0.337 50 S C 0.372 175.034 174.600 0.103 0.000 1.119 50 S CA 0.698 58.922 58.200 0.040 0.000 0.976 50 S CB -1.922 61.267 63.200 -0.017 0.000 0.922 50 S HN 0.555 nan 8.310 nan 0.000 0.503 51 S N -0.549 115.250 115.700 0.165 0.000 3.572 51 S HA -0.188 4.284 4.470 0.004 0.000 0.394 51 S C 0.099 174.843 174.600 0.240 0.000 0.923 51 S CA 0.848 59.130 58.200 0.136 0.000 1.291 51 S CB -1.503 61.831 63.200 0.224 0.000 0.914 51 S HN 0.951 nan 8.310 nan 0.000 0.545 52 W N -0.623 120.771 121.300 0.157 0.000 5.655 52 W HA -0.245 4.417 4.660 0.003 0.000 0.428 52 W C 0.556 177.288 176.519 0.354 0.000 1.712 52 W CA 0.872 58.323 57.345 0.178 0.000 0.956 52 W CB -2.699 26.914 29.460 0.254 0.000 2.931 52 W HN 0.945 nan 8.180 nan 0.000 1.293 53 W N -3.397 118.072 121.300 0.282 0.000 0.884 53 W HA -0.406 4.256 4.660 0.003 0.000 0.222 53 W C 1.891 178.444 176.519 0.056 0.000 0.932 53 W CA 2.873 60.319 57.345 0.168 0.000 0.354 53 W CB -2.224 27.339 29.460 0.172 0.000 1.928 53 W HN 0.325 nan 8.180 nan 0.000 1.288 54 A N 0.423 123.423 122.820 0.300 0.000 1.897 54 A HA 0.392 4.714 4.320 0.004 0.000 0.215 54 A C 1.648 179.187 177.584 -0.074 0.000 1.181 54 A CA 1.666 53.773 52.037 0.118 0.000 0.620 54 A CB -0.915 18.167 19.000 0.136 0.000 0.821 54 A HN 0.825 nan 8.150 nan 0.000 0.443 55 A N 0.767 123.510 122.820 -0.129 0.000 3.048 55 A HA 0.430 4.752 4.320 0.004 0.000 0.264 55 A C 1.178 178.512 177.584 -0.417 0.000 1.796 55 A CA 0.123 51.959 52.037 -0.335 0.000 1.445 55 A CB -1.292 17.346 19.000 -0.603 0.000 1.074 55 A HN 0.787 nan 8.150 nan 0.000 0.621 56 I N -2.842 117.395 120.570 -0.555 0.000 2.830 56 I HA -0.078 4.094 4.170 0.004 0.000 0.263 56 I C 0.913 176.508 176.117 -0.870 0.000 1.230 56 I CA 0.996 61.750 61.300 -0.910 0.000 1.480 56 I CB -0.335 36.856 38.000 -1.347 0.000 1.095 56 I HN 0.479 nan 8.210 nan 0.000 0.455 57 H N 1.710 120.569 119.070 -0.350 0.000 2.542 57 H HA 0.451 5.009 4.556 0.004 0.000 0.283 57 H C 1.356 176.613 175.328 -0.118 0.000 1.059 57 H CA 0.376 56.300 56.048 -0.207 0.000 1.162 57 H CB -0.042 29.525 29.762 -0.325 0.000 1.539 57 H HN 0.524 nan 8.280 nan 0.000 0.543 58 G N 0.818 109.503 108.800 -0.192 0.000 2.593 58 G HA2 -0.276 3.686 3.960 0.004 0.000 0.237 58 G HA3 -0.276 3.686 3.960 0.004 0.000 0.237 58 G C -0.974 173.678 174.900 -0.414 0.000 1.312 58 G CA -0.401 44.545 45.100 -0.257 0.000 0.896 58 G HN 0.328 nan 8.290 nan 0.000 0.574 59 Y N 0.004 120.340 120.300 0.061 0.000 2.567 59 Y HA 0.638 5.190 4.550 0.004 0.000 0.333 59 Y C 1.200 177.135 175.900 0.059 0.000 1.106 59 Y CA -0.285 57.842 58.100 0.045 0.000 1.157 59 Y CB 1.222 39.685 38.460 0.006 0.000 1.277 59 Y HN 0.686 nan 8.280 nan 0.000 0.490 60 N N 1.829 120.653 118.700 0.206 0.000 2.689 60 N HA -0.273 4.470 4.740 0.004 0.000 0.263 60 N C -0.812 174.760 175.510 0.104 0.000 0.987 60 N CA 0.576 53.698 53.050 0.120 0.000 0.782 60 N CB -0.932 37.602 38.487 0.079 0.000 0.903 60 N HN 0.668 nan 8.380 nan 0.000 0.547 61 H N 0.688 119.774 119.070 0.027 0.000 2.580 61 H HA 0.157 4.715 4.556 0.004 0.000 0.322 61 H C -1.474 173.847 175.328 -0.011 0.000 1.082 61 H CA -1.359 54.692 56.048 0.004 0.000 1.383 61 H CB 1.422 31.175 29.762 -0.015 0.000 1.450 61 H HN 0.104 nan 8.280 nan 0.000 0.505 62 P HA -0.114 nan 4.420 nan 0.000 0.217 62 P C 1.122 178.466 177.300 0.075 0.000 1.150 62 P CA 1.225 64.296 63.100 -0.048 0.000 0.832 62 P CB 0.408 32.028 31.700 -0.134 0.000 0.787 63 Q N -0.698 119.251 119.800 0.248 0.000 2.083 63 Q HA -0.023 4.319 4.340 0.004 0.000 0.198 63 Q C 2.312 178.365 176.000 0.087 0.000 0.969 63 Q CA 1.021 56.923 55.803 0.165 0.000 0.838 63 Q CB -0.549 28.293 28.738 0.173 0.000 0.900 63 Q HN 0.264 nan 8.270 nan 0.000 0.436 64 L N 0.636 121.923 121.223 0.106 0.000 2.056 64 L HA -0.186 4.156 4.340 0.004 0.000 0.207 64 L C 1.960 178.848 176.870 0.030 0.000 1.078 64 L CA 0.776 55.620 54.840 0.007 0.000 0.749 64 L CB -0.561 41.487 42.059 -0.019 0.000 0.901 64 L HN 0.233 nan 8.230 nan 0.000 0.433 65 N N 0.540 119.277 118.700 0.060 0.000 2.069 65 N HA -0.169 4.573 4.740 0.004 0.000 0.191 65 N C 1.879 177.402 175.510 0.023 0.000 1.031 65 N CA 1.746 54.819 53.050 0.038 0.000 0.852 65 N CB -0.383 38.126 38.487 0.037 0.000 1.018 65 N HN 0.312 nan 8.380 nan 0.000 0.423 66 A N 0.539 123.373 122.820 0.024 0.000 1.902 66 A HA 0.046 4.368 4.320 0.004 0.000 0.217 66 A C 2.309 179.899 177.584 0.009 0.000 1.181 66 A CA 1.944 53.989 52.037 0.014 0.000 0.623 66 A CB -0.958 18.050 19.000 0.014 0.000 0.818 66 A HN 0.327 nan 8.150 nan 0.000 0.443 67 A N -0.498 122.326 122.820 0.008 0.000 1.877 67 A HA -0.141 4.181 4.320 0.004 0.000 0.216 67 A C 2.282 179.865 177.584 -0.001 0.000 1.186 67 A CA 1.880 53.917 52.037 -0.000 0.000 0.620 67 A CB -0.548 18.446 19.000 -0.011 0.000 0.822 67 A HN 0.531 nan 8.150 nan 0.000 0.443 68 M N -0.863 118.737 119.600 0.000 0.000 2.117 68 M HA -0.161 4.321 4.480 0.004 0.000 0.262 68 M C 2.190 178.491 176.300 0.001 0.000 1.065 68 M CA 1.741 57.041 55.300 -0.001 0.000 1.114 68 M CB -0.339 32.262 32.600 0.002 0.000 1.361 68 M HN 0.333 nan 8.290 nan 0.000 0.408 69 K N -0.211 120.191 120.400 0.004 0.000 2.026 69 K HA -0.082 4.240 4.320 0.004 0.000 0.208 69 K C 2.070 178.671 176.600 0.002 0.000 1.048 69 K CA 1.660 57.949 56.287 0.003 0.000 0.929 69 K CB -0.194 32.308 32.500 0.004 0.000 0.713 69 K HN 0.196 nan 8.250 nan 0.000 0.439 70 S N 1.122 116.823 115.700 0.002 0.000 2.399 70 S HA -0.193 4.279 4.470 0.004 0.000 0.231 70 S C 1.943 176.543 174.600 -0.001 0.000 1.022 70 S CA 1.302 59.503 58.200 0.002 0.000 0.983 70 S CB -0.163 63.039 63.200 0.003 0.000 0.803 70 S HN 0.254 nan 8.310 nan 0.000 0.480 71 Q N 1.391 121.189 119.800 -0.003 0.000 2.123 71 Q HA 0.116 4.458 4.340 0.004 0.000 0.199 71 Q C 1.825 177.820 176.000 -0.009 0.000 0.966 71 Q CA 1.247 57.045 55.803 -0.009 0.000 0.845 71 Q CB -0.506 28.224 28.738 -0.013 0.000 0.907 71 Q HN 0.564 nan 8.270 nan 0.000 0.439 72 I N 0.777 121.345 120.570 -0.003 0.000 2.264 72 I HA -0.288 3.884 4.170 0.004 0.000 0.248 72 I C 1.239 177.356 176.117 0.001 0.000 1.111 72 I CA 1.415 62.716 61.300 0.001 0.000 1.382 72 I CB -0.279 37.723 38.000 0.003 0.000 1.060 72 I HN 0.211 nan 8.210 nan 0.000 0.418 73 D N 0.738 121.137 120.400 -0.000 0.000 2.224 73 D HA -0.069 4.573 4.640 0.004 0.000 0.205 73 D C 2.113 178.412 176.300 -0.002 0.000 0.965 73 D CA 1.268 55.268 54.000 0.000 0.000 0.852 73 D CB 0.022 40.822 40.800 0.001 0.000 0.947 73 D HN 0.367 nan 8.370 nan 0.000 0.494 74 A N 0.475 123.291 122.820 -0.006 0.000 1.844 74 A HA 0.235 4.558 4.320 0.004 0.000 0.212 74 A C 1.001 178.576 177.584 -0.015 0.000 1.221 74 A CA 1.070 53.101 52.037 -0.010 0.000 0.607 74 A CB -0.025 18.968 19.000 -0.012 0.000 0.878 74 A HN 0.315 nan 8.150 nan 0.000 0.451 75 M N -3.719 115.866 119.600 -0.024 0.000 2.361 75 M HA 0.336 4.818 4.480 0.004 0.000 0.274 75 M C -0.047 176.239 176.300 -0.024 0.000 1.035 75 M CA -0.044 55.241 55.300 -0.025 0.000 0.907 75 M CB 1.192 33.763 32.600 -0.048 0.000 1.971 75 M HN -0.091 nan 8.290 nan 0.000 0.494 76 S N 0.285 115.995 115.700 0.017 0.000 2.368 76 S HA -0.007 4.466 4.470 0.004 0.000 0.224 76 S C 0.103 174.767 174.600 0.106 0.000 1.029 76 S CA 1.736 59.964 58.200 0.047 0.000 0.988 76 S CB -0.050 63.191 63.200 0.068 0.000 0.838 76 S HN 0.864 nan 8.310 nan 0.000 0.462 77 H N -1.332 117.741 119.070 0.006 0.000 3.046 77 H HA 0.653 5.211 4.556 0.004 0.000 0.363 77 H C -1.496 173.840 175.328 0.013 0.000 1.203 77 H CA -0.429 55.640 56.048 0.034 0.000 1.169 77 H CB 1.689 31.560 29.762 0.180 0.000 1.851 77 H HN 0.023 nan 8.280 nan 0.000 0.546 78 V N 5.858 125.342 119.914 -0.717 0.000 3.012 78 V HA 0.390 4.512 4.120 0.004 0.000 0.307 78 V C -0.271 175.410 176.094 -0.689 0.000 1.166 78 V CA -0.906 61.095 62.300 -0.498 0.000 0.974 78 V CB 1.817 33.528 31.823 -0.186 0.000 1.040 78 V HN 1.033 nan 8.190 nan 0.000 0.428 79 M N 3.850 123.251 119.600 -0.331 0.000 2.250 79 M HA 0.305 4.787 4.480 0.004 0.000 0.325 79 M C -0.226 176.145 176.300 0.118 0.000 1.084 79 M CA 0.694 55.948 55.300 -0.077 0.000 1.161 79 M CB 0.114 32.706 32.600 -0.013 0.000 1.481 79 M HN 0.612 nan 8.290 nan 0.000 0.449 80 F N 0.950 120.888 119.950 -0.021 0.000 2.695 80 F HA 0.435 4.965 4.527 0.004 0.000 0.303 80 F C 0.969 176.752 175.800 -0.027 0.000 1.091 80 F CA -0.794 57.200 58.000 -0.011 0.000 1.300 80 F CB 0.130 39.130 39.000 -0.001 0.000 1.071 80 F HN 0.766 nan 8.300 nan 0.000 0.578 81 G N -0.296 108.529 108.800 0.042 0.000 2.365 81 G HA2 0.412 4.375 3.960 0.004 0.000 0.293 81 G HA3 0.412 4.375 3.960 0.004 0.000 0.293 81 G C 1.012 175.869 174.900 -0.072 0.000 1.128 81 G CA 0.110 45.191 45.100 -0.030 0.000 0.971 81 G HN 0.675 nan 8.290 nan 0.000 0.422 82 G N 1.496 110.221 108.800 -0.124 0.000 2.148 82 G HA2 -0.260 3.702 3.960 0.004 0.000 0.254 82 G HA3 -0.260 3.702 3.960 0.004 0.000 0.254 82 G C 0.202 175.028 174.900 -0.125 0.000 0.981 82 G CA 0.575 45.609 45.100 -0.110 0.000 0.670 82 G HN 0.802 nan 8.290 nan 0.000 0.528 83 I N -0.646 119.814 120.570 -0.184 0.000 2.802 83 I HA 0.663 4.835 4.170 0.004 0.000 0.298 83 I C -0.147 175.811 176.117 -0.264 0.000 1.176 83 I CA -0.709 60.512 61.300 -0.132 0.000 1.025 83 I CB 2.665 40.656 38.000 -0.016 0.000 1.243 83 I HN 0.116 nan 8.210 nan 0.000 0.424 84 T N 2.630 117.099 114.554 -0.142 0.000 2.841 84 T HA 0.750 5.102 4.350 0.004 0.000 0.296 84 T C -1.643 173.083 174.700 0.043 0.000 1.166 84 T CA -0.447 61.545 62.100 -0.180 0.000 1.007 84 T CB 1.343 70.057 68.868 -0.255 0.000 1.253 84 T HN 0.833 nan 8.240 nan 0.000 0.511 85 H N -0.926 118.235 119.070 0.152 0.000 2.981 85 H HA 0.785 5.343 4.556 0.004 0.000 0.327 85 H C 0.799 176.180 175.328 0.088 0.000 1.342 85 H CA -0.347 55.759 56.048 0.097 0.000 1.123 85 H CB 0.724 30.542 29.762 0.094 0.000 1.851 85 H HN 0.587 nan 8.280 nan 0.000 0.531 86 A N 0.297 123.261 122.820 0.239 0.000 1.877 86 A HA 0.017 4.339 4.320 0.004 0.000 0.216 86 A C -0.595 177.088 177.584 0.165 0.000 1.186 86 A CA 1.804 53.929 52.037 0.147 0.000 0.620 86 A CB -1.830 17.230 19.000 0.099 0.000 0.822 86 A HN 0.686 nan 8.150 nan 0.000 0.443 87 P HA -0.121 nan 4.420 nan 0.000 0.216 87 P C 1.651 179.049 177.300 0.163 0.000 1.150 87 P CA 1.952 65.161 63.100 0.182 0.000 0.837 87 P CB -0.104 31.688 31.700 0.154 0.000 0.786 88 A N -0.878 122.051 122.820 0.181 0.000 1.897 88 A HA -0.121 4.202 4.320 0.004 0.000 0.215 88 A C 2.221 179.816 177.584 0.018 0.000 1.181 88 A CA 1.213 53.241 52.037 -0.015 0.000 0.620 88 A CB -1.505 17.310 19.000 -0.308 0.000 0.821 88 A HN 0.088 nan 8.150 nan 0.000 0.443 89 I N -0.645 119.940 120.570 0.026 0.000 2.142 89 I HA -0.253 3.919 4.170 0.004 0.000 0.240 89 I C 2.595 178.734 176.117 0.037 0.000 1.078 89 I CA 1.704 63.022 61.300 0.031 0.000 1.343 89 I CB -0.340 37.674 38.000 0.025 0.000 1.046 89 I HN 0.472 nan 8.210 nan 0.000 0.405 90 E N 0.839 121.066 120.200 0.046 0.000 2.070 90 E HA -0.297 4.055 4.350 0.004 0.000 0.197 90 E C 2.223 178.847 176.600 0.040 0.000 1.004 90 E CA 1.696 58.122 56.400 0.042 0.000 0.805 90 E CB -0.112 29.615 29.700 0.044 0.000 0.744 90 E HN 0.296 nan 8.360 nan 0.000 0.451 91 L N 0.703 121.950 121.223 0.040 0.000 2.012 91 L HA -0.194 4.148 4.340 0.004 0.000 0.210 91 L C 2.358 179.256 176.870 0.046 0.000 1.073 91 L CA 1.815 56.677 54.840 0.036 0.000 0.748 91 L CB -0.715 41.360 42.059 0.026 0.000 0.891 91 L HN 0.257 nan 8.230 nan 0.000 0.431 92 C N -0.403 118.922 119.300 0.041 0.000 2.435 92 C HA -0.064 4.398 4.460 0.004 0.000 0.279 92 C C 2.760 177.777 174.990 0.044 0.000 1.321 92 C CA 0.515 59.559 59.018 0.043 0.000 1.752 92 C CB -1.140 26.624 27.740 0.039 0.000 1.959 92 C HN 0.508 nan 8.230 nan 0.000 0.500 93 R N 1.122 121.647 120.500 0.041 0.000 2.083 93 R HA -0.139 4.203 4.340 0.004 0.000 0.237 93 R C 2.272 178.604 176.300 0.054 0.000 1.137 93 R CA 1.406 57.531 56.100 0.041 0.000 0.951 93 R CB -0.253 30.069 30.300 0.037 0.000 0.851 93 R HN 0.588 nan 8.270 nan 0.000 0.434 94 K N 0.491 120.929 120.400 0.063 0.000 2.026 94 K HA -0.096 4.226 4.320 0.004 0.000 0.208 94 K C 2.194 178.865 176.600 0.119 0.000 1.048 94 K CA 1.132 57.471 56.287 0.086 0.000 0.929 94 K CB -0.126 32.422 32.500 0.079 0.000 0.713 94 K HN 0.131 nan 8.250 nan 0.000 0.439 95 L N 0.539 121.832 121.223 0.116 0.000 2.046 95 L HA -0.187 4.155 4.340 0.004 0.000 0.208 95 L C 2.355 179.272 176.870 0.077 0.000 1.077 95 L CA 0.906 55.828 54.840 0.136 0.000 0.747 95 L CB -0.448 41.681 42.059 0.116 0.000 0.896 95 L HN 0.006 nan 8.230 nan 0.000 0.432 96 V N 0.083 120.027 119.914 0.050 0.000 2.295 96 V HA -0.296 3.826 4.120 0.004 0.000 0.246 96 V C 2.735 178.850 176.094 0.035 0.000 1.049 96 V CA 1.884 64.198 62.300 0.023 0.000 1.024 96 V CB -0.873 30.961 31.823 0.018 0.000 0.648 96 V HN 0.484 nan 8.190 nan 0.000 0.447 97 A N 0.814 123.668 122.820 0.057 0.000 1.898 97 A HA -0.216 4.106 4.320 0.004 0.000 0.216 97 A C 2.265 179.903 177.584 0.091 0.000 1.181 97 A CA 2.202 54.277 52.037 0.064 0.000 0.620 97 A CB -0.481 18.559 19.000 0.066 0.000 0.819 97 A HN 0.658 nan 8.150 nan 0.000 0.442 98 M N -0.267 119.416 119.600 0.138 0.000 2.492 98 M HA 0.048 4.531 4.480 0.004 0.000 0.262 98 M C 0.740 177.184 176.300 0.241 0.000 1.090 98 M CA 1.219 56.648 55.300 0.215 0.000 1.110 98 M CB -0.884 31.899 32.600 0.305 0.000 1.407 98 M HN 0.347 nan 8.290 nan 0.000 0.470 99 T N -0.599 114.008 114.554 0.088 0.000 2.936 99 T HA 0.631 4.983 4.350 0.004 0.000 0.282 99 T C -2.701 171.970 174.700 -0.049 0.000 1.003 99 T CA -1.861 60.189 62.100 -0.084 0.000 1.005 99 T CB 0.766 69.469 68.868 -0.276 0.000 1.097 99 T HN 0.003 nan 8.240 nan 0.000 0.532 100 P HA 0.077 nan 4.420 nan 0.000 0.267 100 P C 0.797 178.069 177.300 -0.047 0.000 1.201 100 P CA -0.060 63.011 63.100 -0.047 0.000 0.775 100 P CB 0.428 32.090 31.700 -0.062 0.000 0.854 101 Q N 4.666 124.450 119.800 -0.027 0.000 2.062 101 Q HA -0.195 4.148 4.340 0.004 0.000 0.209 101 Q C -0.793 175.187 176.000 -0.034 0.000 0.996 101 Q CA 2.868 58.657 55.803 -0.022 0.000 0.859 101 Q CB -2.027 26.703 28.738 -0.014 0.000 0.920 101 Q HN 0.402 nan 8.270 nan 0.000 0.415 102 P HA -0.107 nan 4.420 nan 0.000 0.219 102 P C -0.497 176.764 177.300 -0.065 0.000 1.146 102 P CA 1.026 64.096 63.100 -0.051 0.000 0.808 102 P CB -0.028 31.638 31.700 -0.056 0.000 0.779 103 L N 0.955 122.133 121.223 -0.076 0.000 2.363 103 L HA 0.135 4.477 4.340 0.004 0.000 0.286 103 L C 1.176 178.007 176.870 -0.065 0.000 1.106 103 L CA 0.226 55.012 54.840 -0.090 0.000 0.859 103 L CB -0.143 41.840 42.059 -0.127 0.000 1.223 103 L HN 0.112 nan 8.230 nan 0.000 0.446 104 E N 0.633 120.801 120.200 -0.054 0.000 2.743 104 E HA 0.176 4.529 4.350 0.004 0.000 0.222 104 E C -0.512 176.074 176.600 -0.023 0.000 0.959 104 E CA -0.367 56.014 56.400 -0.032 0.000 1.198 104 E CB 0.466 30.151 29.700 -0.025 0.000 1.100 104 E HN 0.381 nan 8.360 nan 0.000 0.518 105 C N 1.656 120.937 119.300 -0.031 0.000 2.319 105 C HA 0.615 5.077 4.460 0.004 0.000 0.323 105 C C -0.112 174.879 174.990 0.001 0.000 1.277 105 C CA -0.657 58.353 59.018 -0.015 0.000 1.517 105 C CB 1.078 28.800 27.740 -0.030 0.000 2.206 105 C HN 0.249 nan 8.230 nan 0.000 0.486 106 V N 3.832 123.766 119.914 0.033 0.000 2.417 106 V HA 0.416 4.539 4.120 0.004 0.000 0.291 106 V C -0.574 175.588 176.094 0.114 0.000 1.024 106 V CA -0.373 61.961 62.300 0.057 0.000 0.861 106 V CB 1.306 33.155 31.823 0.043 0.000 0.985 106 V HN 0.726 nan 8.190 nan 0.000 0.436 107 F N 5.925 125.878 119.950 0.005 0.000 2.347 107 F HA 0.603 5.132 4.527 0.004 0.000 0.366 107 F C -0.194 175.637 175.800 0.052 0.000 1.107 107 F CA -0.608 57.426 58.000 0.055 0.000 1.058 107 F CB 0.827 39.851 39.000 0.040 0.000 1.236 107 F HN 0.326 nan 8.300 nan 0.000 0.456 108 L N 5.924 127.068 121.223 -0.132 0.000 2.371 108 L HA 0.708 5.050 4.340 0.004 0.000 0.272 108 L C 0.198 177.083 176.870 0.025 0.000 1.124 108 L CA -0.297 54.514 54.840 -0.048 0.000 0.816 108 L CB 0.940 42.903 42.059 -0.160 0.000 1.129 108 L HN 0.763 nan 8.230 nan 0.000 0.448 109 A N 1.646 124.548 122.820 0.137 0.000 2.524 109 A HA 0.545 4.868 4.320 0.004 0.000 0.289 109 A C -0.429 177.230 177.584 0.126 0.000 1.248 109 A CA -0.433 51.725 52.037 0.202 0.000 0.712 109 A CB 1.022 20.206 19.000 0.307 0.000 1.312 109 A HN 0.724 nan 8.150 nan 0.000 0.441 110 D N -0.079 120.402 120.400 0.135 0.000 2.201 110 D HA 0.177 4.819 4.640 0.004 0.000 0.209 110 D C 0.924 177.264 176.300 0.066 0.000 0.961 110 D CA 1.324 55.376 54.000 0.086 0.000 0.861 110 D CB -0.082 40.771 40.800 0.089 0.000 0.997 110 D HN 0.644 nan 8.370 nan 0.000 0.486 111 S N -1.596 114.149 115.700 0.075 0.000 2.627 111 S HA 0.601 5.073 4.470 0.004 0.000 0.283 111 S C 1.262 175.890 174.600 0.048 0.000 1.127 111 S CA -0.502 57.734 58.200 0.060 0.000 0.863 111 S CB 1.635 64.869 63.200 0.057 0.000 1.121 111 S HN 0.076 nan 8.310 nan 0.000 0.479 112 G N 1.411 110.232 108.800 0.036 0.000 2.446 112 G HA2 -0.150 3.812 3.960 0.004 0.000 0.217 112 G HA3 -0.150 3.812 3.960 0.004 0.000 0.217 112 G C 1.335 176.221 174.900 -0.024 0.000 1.168 112 G CA 1.173 46.278 45.100 0.008 0.000 0.771 112 G HN 0.745 nan 8.290 nan 0.000 0.551 113 S N -0.137 115.549 115.700 -0.022 0.000 2.370 113 S HA -0.117 4.355 4.470 0.004 0.000 0.226 113 S C 2.500 177.073 174.600 -0.045 0.000 1.033 113 S CA 1.225 59.394 58.200 -0.052 0.000 1.011 113 S CB -0.260 62.925 63.200 -0.026 0.000 0.852 113 S HN 0.191 nan 8.310 nan 0.000 0.457 114 V N 1.900 121.815 119.914 0.002 0.000 2.427 114 V HA -0.163 3.959 4.120 0.004 0.000 0.248 114 V C 2.616 178.684 176.094 -0.042 0.000 1.051 114 V CA 1.533 63.846 62.300 0.021 0.000 1.048 114 V CB -1.209 30.677 31.823 0.106 0.000 0.666 114 V HN 0.531 nan 8.190 nan 0.000 0.456 115 A N -0.149 122.658 122.820 -0.022 0.000 1.908 115 A HA -0.181 4.141 4.320 0.004 0.000 0.218 115 A C 2.406 179.923 177.584 -0.113 0.000 1.181 115 A CA 2.213 54.225 52.037 -0.042 0.000 0.627 115 A CB -0.692 18.304 19.000 -0.007 0.000 0.818 115 A HN 0.339 nan 8.150 nan 0.000 0.445 116 V N 0.287 120.128 119.914 -0.122 0.000 2.358 116 V HA -0.207 3.916 4.120 0.004 0.000 0.246 116 V C 2.513 178.478 176.094 -0.216 0.000 1.047 116 V CA 2.036 64.230 62.300 -0.177 0.000 1.035 116 V CB -0.705 31.012 31.823 -0.176 0.000 0.658 116 V HN 0.552 nan 8.190 nan 0.000 0.452 117 E N -0.057 120.033 120.200 -0.184 0.000 2.118 117 E HA -0.183 4.169 4.350 0.004 0.000 0.195 117 E C 2.309 178.794 176.600 -0.191 0.000 0.992 117 E CA 1.347 57.640 56.400 -0.178 0.000 0.804 117 E CB -0.368 29.279 29.700 -0.089 0.000 0.741 117 E HN 0.480 nan 8.360 nan 0.000 0.458 118 V N 1.483 121.238 119.914 -0.265 0.000 2.358 118 V HA -0.233 3.889 4.120 0.004 0.000 0.246 118 V C 2.441 178.415 176.094 -0.199 0.000 1.047 118 V CA 1.728 63.841 62.300 -0.312 0.000 1.035 118 V CB -0.725 30.826 31.823 -0.453 0.000 0.658 118 V HN 0.255 nan 8.190 nan 0.000 0.452 119 A N -0.662 122.034 122.820 -0.207 0.000 1.902 119 A HA -0.244 4.078 4.320 0.004 0.000 0.217 119 A C 2.235 179.749 177.584 -0.117 0.000 1.181 119 A CA 2.236 54.160 52.037 -0.189 0.000 0.623 119 A CB -0.465 18.424 19.000 -0.185 0.000 0.818 119 A HN 0.491 nan 8.150 nan 0.000 0.443 120 M N -0.858 118.657 119.600 -0.141 0.000 2.132 120 M HA -0.156 4.326 4.480 0.004 0.000 0.263 120 M C 2.134 178.508 176.300 0.124 0.000 1.065 120 M CA 1.737 56.988 55.300 -0.082 0.000 1.122 120 M CB -0.339 32.018 32.600 -0.406 0.000 1.365 120 M HN 0.319 nan 8.290 nan 0.000 0.411 121 K N 0.011 120.455 120.400 0.073 0.000 2.097 121 K HA -0.078 4.244 4.320 0.004 0.000 0.206 121 K C 1.892 178.642 176.600 0.249 0.000 1.049 121 K CA 1.280 57.675 56.287 0.181 0.000 0.933 121 K CB -0.134 32.482 32.500 0.193 0.000 0.717 121 K HN 0.338 nan 8.250 nan 0.000 0.442 122 M N 0.235 119.899 119.600 0.106 0.000 2.117 122 M HA -0.163 4.320 4.480 0.004 0.000 0.262 122 M C 2.421 178.731 176.300 0.018 0.000 1.065 122 M CA 1.591 56.844 55.300 -0.079 0.000 1.114 122 M CB -0.324 32.057 32.600 -0.365 0.000 1.361 122 M HN 0.224 nan 8.290 nan 0.000 0.408 123 A N 0.641 123.498 122.820 0.062 0.000 1.858 123 A HA -0.150 4.173 4.320 0.004 0.000 0.216 123 A C 2.094 179.834 177.584 0.260 0.000 1.190 123 A CA 1.475 53.592 52.037 0.133 0.000 0.617 123 A CB -1.024 18.121 19.000 0.241 0.000 0.827 123 A HN 0.445 nan 8.150 nan 0.000 0.443 124 L N -1.017 120.361 121.223 0.258 0.000 2.012 124 L HA -0.257 4.085 4.340 0.004 0.000 0.210 124 L C 2.940 179.934 176.870 0.207 0.000 1.073 124 L CA 1.747 56.729 54.840 0.236 0.000 0.748 124 L CB -0.643 41.539 42.059 0.205 0.000 0.891 124 L HN 0.505 nan 8.230 nan 0.000 0.431 125 Q N -1.269 118.641 119.800 0.184 0.000 2.167 125 Q HA -0.230 4.113 4.340 0.004 0.000 0.202 125 Q C 2.074 178.129 176.000 0.093 0.000 0.970 125 Q CA 1.423 57.314 55.803 0.147 0.000 0.855 125 Q CB -0.119 28.738 28.738 0.199 0.000 0.911 125 Q HN 0.457 nan 8.270 nan 0.000 0.438 126 Y N -0.377 119.872 120.300 -0.084 0.000 2.097 126 Y HA -0.280 4.272 4.550 0.004 0.000 0.282 126 Y C 1.475 177.184 175.900 -0.318 0.000 1.152 126 Y CA 1.833 59.766 58.100 -0.278 0.000 1.136 126 Y CB -0.521 37.655 38.460 -0.474 0.000 0.975 126 Y HN 0.112 nan 8.280 nan 0.000 0.498 127 W N 0.332 121.629 121.300 -0.006 0.000 2.418 127 W HA -0.136 4.527 4.660 0.003 0.000 0.292 127 W C 2.678 179.135 176.519 -0.104 0.000 1.213 127 W CA 0.989 58.271 57.345 -0.105 0.000 1.283 127 W CB -0.458 28.997 29.460 -0.009 0.000 1.119 127 W HN 0.075 nan 8.180 nan 0.000 0.542 128 Q N 0.911 120.802 119.800 0.152 0.000 2.096 128 Q HA -0.215 4.127 4.340 0.004 0.000 0.204 128 Q C 2.253 178.259 176.000 0.010 0.000 0.982 128 Q CA 2.078 57.928 55.803 0.079 0.000 0.850 128 Q CB -0.550 28.230 28.738 0.070 0.000 0.901 128 Q HN 0.302 nan 8.270 nan 0.000 0.422 129 A N 0.849 123.635 122.820 -0.056 0.000 1.972 129 A HA -0.138 4.184 4.320 0.004 0.000 0.219 129 A C 1.779 179.287 177.584 -0.126 0.000 1.169 129 A CA 1.344 53.322 52.037 -0.098 0.000 0.635 129 A CB -0.194 18.723 19.000 -0.139 0.000 0.810 129 A HN 0.310 nan 8.150 nan 0.000 0.446 130 K N -1.100 119.198 120.400 -0.169 0.000 2.417 130 K HA 0.241 4.564 4.320 0.004 0.000 0.196 130 K C 0.909 177.512 176.600 0.005 0.000 1.023 130 K CA 0.399 56.614 56.287 -0.120 0.000 1.122 130 K CB -0.026 32.352 32.500 -0.203 0.000 0.850 130 K HN 0.588 nan 8.250 nan 0.000 0.521 131 G N 2.261 111.073 108.800 0.020 0.000 2.179 131 G HA2 -0.291 3.671 3.960 0.004 0.000 0.257 131 G HA3 -0.291 3.671 3.960 0.004 0.000 0.257 131 G C -0.428 174.505 174.900 0.055 0.000 1.010 131 G CA 0.254 45.374 45.100 0.032 0.000 0.736 131 G HN 0.422 nan 8.290 nan 0.000 0.513 132 E N -0.235 120.033 120.200 0.113 0.000 2.179 132 E HA 0.594 4.946 4.350 0.004 0.000 0.275 132 E C 0.421 177.035 176.600 0.024 0.000 0.945 132 E CA -0.267 56.177 56.400 0.074 0.000 0.792 132 E CB 1.467 31.236 29.700 0.114 0.000 1.125 132 E HN 0.482 nan 8.360 nan 0.000 0.397 133 A N 4.552 127.344 122.820 -0.045 0.000 2.990 133 A HA 0.169 4.491 4.320 0.004 0.000 0.282 133 A C -0.079 177.419 177.584 -0.144 0.000 1.688 133 A CA -0.007 51.991 52.037 -0.065 0.000 1.391 133 A CB -0.355 18.608 19.000 -0.061 0.000 1.112 133 A HN 0.497 nan 8.150 nan 0.000 0.588 134 R N 1.240 121.635 120.500 -0.175 0.000 2.422 134 R HA 0.353 4.696 4.340 0.004 0.000 0.307 134 R C -0.215 175.948 176.300 -0.227 0.000 1.004 134 R CA -0.112 55.791 56.100 -0.328 0.000 0.882 134 R CB 1.195 31.033 30.300 -0.770 0.000 1.164 134 R HN 0.744 nan 8.270 nan 0.000 0.489 135 Q N 0.989 120.658 119.800 -0.220 0.000 2.164 135 Q HA 0.216 4.559 4.340 0.004 0.000 0.226 135 Q C -0.169 175.658 176.000 -0.288 0.000 0.813 135 Q CA 0.038 55.731 55.803 -0.183 0.000 0.978 135 Q CB 1.085 29.781 28.738 -0.070 0.000 1.149 135 Q HN 0.251 nan 8.270 nan 0.000 0.489 136 R N -0.188 120.082 120.500 -0.383 0.000 2.540 136 R HA 0.463 4.805 4.340 0.004 0.000 0.287 136 R C -1.053 174.883 176.300 -0.606 0.000 0.980 136 R CA -0.433 55.457 56.100 -0.351 0.000 0.966 136 R CB 1.134 31.290 30.300 -0.239 0.000 1.106 136 R HN -0.093 nan 8.270 nan 0.000 0.480 137 F N 1.742 121.585 119.950 -0.178 0.000 2.469 137 F HA 0.352 4.882 4.527 0.003 0.000 0.332 137 F C -0.196 175.439 175.800 -0.276 0.000 1.103 137 F CA -1.052 56.826 58.000 -0.204 0.000 0.979 137 F CB 1.400 40.272 39.000 -0.212 0.000 1.137 137 F HN 0.160 nan 8.300 nan 0.000 0.463 138 L N 3.062 124.229 121.223 -0.093 0.000 2.287 138 L HA 0.695 5.037 4.340 0.004 0.000 0.287 138 L C -0.268 176.530 176.870 -0.121 0.000 1.022 138 L CA 0.266 55.002 54.840 -0.174 0.000 0.814 138 L CB 1.227 43.164 42.059 -0.203 0.000 1.217 138 L HN 0.682 nan 8.230 nan 0.000 0.420 139 T N 3.896 118.343 114.554 -0.180 0.000 2.864 139 T HA 0.596 4.949 4.350 0.004 0.000 0.289 139 T C -0.583 174.177 174.700 0.099 0.000 1.082 139 T CA -0.497 61.552 62.100 -0.086 0.000 1.009 139 T CB 0.547 69.352 68.868 -0.104 0.000 1.234 139 T HN 0.290 nan 8.240 nan 0.000 0.526 140 F N 1.843 121.862 119.950 0.114 0.000 2.371 140 F HA 0.526 5.056 4.527 0.004 0.000 0.329 140 F C 1.570 177.482 175.800 0.186 0.000 1.107 140 F CA -1.301 56.739 58.000 0.066 0.000 1.137 140 F CB 0.896 39.828 39.000 -0.113 0.000 1.214 140 F HN 0.266 nan 8.300 nan 0.000 0.536 141 R N 1.375 122.062 120.500 0.312 0.000 2.679 141 R HA 0.061 4.404 4.340 0.004 0.000 0.269 141 R C 0.314 176.688 176.300 0.123 0.000 1.076 141 R CA -0.103 56.124 56.100 0.211 0.000 1.160 141 R CB 0.147 30.510 30.300 0.105 0.000 1.054 141 R HN 0.799 nan 8.270 nan 0.000 0.507 142 N N -1.446 117.304 118.700 0.083 0.000 2.925 142 N HA -0.130 4.612 4.740 0.004 0.000 0.244 142 N C -0.039 175.532 175.510 0.102 0.000 1.000 142 N CA 1.267 54.353 53.050 0.059 0.000 0.895 142 N CB -0.996 37.498 38.487 0.011 0.000 1.119 142 N HN 0.836 nan 8.380 nan 0.000 0.569 143 G N -0.374 108.523 108.800 0.162 0.000 2.425 143 G HA2 0.486 4.448 3.960 0.004 0.000 0.302 143 G HA3 0.486 4.448 3.960 0.004 0.000 0.302 143 G C -1.163 173.771 174.900 0.056 0.000 1.159 143 G CA -0.165 45.008 45.100 0.121 0.000 0.865 143 G HN 0.210 nan 8.290 nan 0.000 0.515 144 Y N -0.183 119.913 120.300 -0.340 0.000 2.421 144 Y HA 0.522 5.074 4.550 0.004 0.000 0.339 144 Y C -0.097 175.463 175.900 -0.567 0.000 0.996 144 Y CA -1.007 56.920 58.100 -0.290 0.000 1.046 144 Y CB 1.866 40.223 38.460 -0.172 0.000 1.226 144 Y HN 0.680 nan 8.280 nan 0.000 0.445 145 H N 3.012 121.606 119.070 -0.793 0.000 3.367 145 H HA 0.557 5.115 4.556 0.004 0.000 0.257 145 H C 0.321 175.231 175.328 -0.697 0.000 1.201 145 H CA 0.057 55.748 56.048 -0.596 0.000 1.102 145 H CB 1.284 30.860 29.762 -0.309 0.000 1.656 145 H HN 0.964 nan 8.280 nan 0.000 0.662 146 G N 0.006 108.152 108.800 -1.091 0.000 2.353 146 G HA2 -0.119 3.843 3.960 0.004 0.000 0.424 146 G HA3 -0.119 3.843 3.960 0.004 0.000 0.424 146 G C -1.041 173.766 174.900 -0.155 0.000 1.320 146 G CA -0.339 44.478 45.100 -0.472 0.000 0.995 146 G HN 0.077 nan 8.290 nan 0.000 0.580 147 D N -0.101 120.316 120.400 0.029 0.000 2.441 147 D HA 0.199 4.841 4.640 0.004 0.000 0.210 147 D C 1.728 178.034 176.300 0.010 0.000 1.102 147 D CA 1.175 55.239 54.000 0.108 0.000 0.840 147 D CB 0.561 41.461 40.800 0.166 0.000 0.990 147 D HN 0.764 nan 8.370 nan 0.000 0.505 148 T N -1.342 113.202 114.554 -0.017 0.000 2.828 148 T HA 0.068 4.421 4.350 0.004 0.000 0.290 148 T C 1.311 175.997 174.700 -0.023 0.000 1.019 148 T CA -0.750 61.340 62.100 -0.015 0.000 1.031 148 T CB 0.868 69.734 68.868 -0.003 0.000 1.001 148 T HN -0.074 nan 8.240 nan 0.000 0.531 149 F N 1.863 121.736 119.950 -0.128 0.000 2.091 149 F HA -0.006 4.523 4.527 0.004 0.000 0.299 149 F C 2.228 177.956 175.800 -0.120 0.000 1.103 149 F CA 1.957 59.870 58.000 -0.145 0.000 1.228 149 F CB -1.260 37.703 39.000 -0.061 0.000 0.984 149 F HN 0.690 nan 8.300 nan 0.000 0.477 150 G N -0.150 108.236 108.800 -0.690 0.000 2.446 150 G HA2 -0.209 3.754 3.960 0.004 0.000 0.217 150 G HA3 -0.209 3.754 3.960 0.004 0.000 0.217 150 G C 1.849 176.459 174.900 -0.483 0.000 1.168 150 G CA 1.301 45.916 45.100 -0.809 0.000 0.771 150 G HN 0.732 nan 8.290 nan 0.000 0.551 151 A N 0.566 123.205 122.820 -0.303 0.000 1.902 151 A HA 0.045 4.367 4.320 0.004 0.000 0.217 151 A C 2.476 179.996 177.584 -0.107 0.000 1.181 151 A CA 1.799 53.708 52.037 -0.213 0.000 0.623 151 A CB -0.375 18.520 19.000 -0.176 0.000 0.818 151 A HN 0.386 nan 8.150 nan 0.000 0.443 152 M N 0.505 120.063 119.600 -0.070 0.000 2.149 152 M HA -0.165 4.317 4.480 0.004 0.000 0.261 152 M C 2.338 178.720 176.300 0.137 0.000 1.064 152 M CA 1.792 57.134 55.300 0.069 0.000 1.102 152 M CB -0.477 32.107 32.600 -0.026 0.000 1.369 152 M HN 0.634 nan 8.290 nan 0.000 0.408 153 S N 0.103 115.782 115.700 -0.036 0.000 2.507 153 S HA -0.038 4.434 4.470 0.004 0.000 0.235 153 S C 1.320 176.027 174.600 0.179 0.000 0.988 153 S CA 0.954 59.162 58.200 0.013 0.000 0.944 153 S CB -0.688 62.414 63.200 -0.164 0.000 0.762 153 S HN 0.465 nan 8.310 nan 0.000 0.526 154 V N -2.407 117.586 119.914 0.132 0.000 3.380 154 V HA 0.484 4.606 4.120 0.004 0.000 0.307 154 V C 0.589 176.955 176.094 0.454 0.000 1.434 154 V CA -1.067 61.338 62.300 0.176 0.000 1.075 154 V CB -1.363 30.359 31.823 -0.168 0.000 0.954 154 V HN 0.483 nan 8.190 nan 0.000 0.444 155 C N 1.346 120.921 119.300 0.457 0.000 2.520 155 C HA 0.426 4.888 4.460 0.004 0.000 0.376 155 C C 0.765 175.905 174.990 0.250 0.000 1.268 155 C CA -0.149 59.090 59.018 0.368 0.000 2.414 155 C CB 0.504 28.435 27.740 0.318 0.000 2.521 155 C HN 0.705 nan 8.230 nan 0.000 0.618 156 D N 2.048 122.508 120.400 0.100 0.000 2.581 156 D HA 0.022 4.665 4.640 0.004 0.000 0.238 156 D C -1.452 174.557 176.300 -0.484 0.000 1.145 156 D CA -0.478 53.432 54.000 -0.151 0.000 0.866 156 D CB 0.756 41.520 40.800 -0.060 0.000 1.151 156 D HN 0.298 nan 8.370 nan 0.000 0.500 157 P HA -0.120 nan 4.420 nan 0.000 0.218 157 P C 0.425 177.445 177.300 -0.466 0.000 1.149 157 P CA 0.917 63.424 63.100 -0.989 0.000 0.817 157 P CB 0.252 31.562 31.700 -0.651 0.000 0.785 158 D N -1.173 119.056 120.400 -0.285 0.000 2.144 158 D HA -0.068 4.575 4.640 0.004 0.000 0.207 158 D C 1.633 177.880 176.300 -0.089 0.000 0.970 158 D CA 0.834 54.752 54.000 -0.137 0.000 0.853 158 D CB -0.964 39.779 40.800 -0.096 0.000 1.007 158 D HN 0.033 nan 8.370 nan 0.000 0.469 159 N N 0.554 119.202 118.700 -0.087 0.000 2.348 159 N HA -0.072 4.670 4.740 0.004 0.000 0.185 159 N C 0.953 176.465 175.510 0.004 0.000 1.019 159 N CA 0.687 53.720 53.050 -0.029 0.000 0.880 159 N CB 0.019 38.499 38.487 -0.012 0.000 0.965 159 N HN -0.009 nan 8.380 nan 0.000 0.437 160 S N -0.161 115.537 115.700 -0.002 0.000 2.650 160 S HA 0.291 4.763 4.470 0.004 0.000 0.240 160 S C 0.280 175.035 174.600 0.259 0.000 1.007 160 S CA -0.310 57.987 58.200 0.162 0.000 0.984 160 S CB 0.306 63.663 63.200 0.263 0.000 0.910 160 S HN 0.223 nan 8.310 nan 0.000 0.509 161 M N 1.386 121.051 119.600 0.108 0.000 2.253 161 M HA -0.237 4.246 4.480 0.004 0.000 0.195 161 M C 0.280 176.686 176.300 0.177 0.000 0.512 161 M CA 0.475 55.834 55.300 0.097 0.000 0.442 161 M CB -1.970 30.673 32.600 0.072 0.000 1.189 161 M HN 0.526 nan 8.290 nan 0.000 0.923 162 H N -0.533 118.607 119.070 0.116 0.000 2.557 162 H HA -0.081 4.478 4.556 0.004 0.000 0.287 162 H C 2.083 177.433 175.328 0.037 0.000 1.043 162 H CA 1.119 57.285 56.048 0.197 0.000 1.226 162 H CB 0.222 30.100 29.762 0.194 0.000 1.361 162 H HN 0.811 nan 8.280 nan 0.000 0.592 163 S N 0.389 116.122 115.700 0.055 0.000 2.507 163 S HA -0.074 4.398 4.470 0.004 0.000 0.235 163 S C 1.888 176.379 174.600 -0.182 0.000 0.988 163 S CA 0.409 58.590 58.200 -0.033 0.000 0.944 163 S CB -0.289 62.889 63.200 -0.037 0.000 0.762 163 S HN 0.369 nan 8.310 nan 0.000 0.526 164 L N -1.137 119.817 121.223 -0.448 0.000 2.179 164 L HA 0.127 4.469 4.340 0.004 0.000 0.208 164 L C 1.624 178.021 176.870 -0.788 0.000 1.096 164 L CA 0.888 55.206 54.840 -0.870 0.000 0.779 164 L CB -0.302 40.778 42.059 -1.631 0.000 0.922 164 L HN 0.516 nan 8.230 nan 0.000 0.443 165 W N -1.223 120.120 121.300 0.072 0.000 2.846 165 W HA 0.281 4.943 4.660 0.003 0.000 0.391 165 W C 0.540 177.117 176.519 0.096 0.000 1.011 165 W CA -0.924 56.464 57.345 0.072 0.000 1.832 165 W CB -0.173 29.338 29.460 0.084 0.000 1.151 165 W HN -0.271 nan 8.180 nan 0.000 0.582 166 K N 1.747 122.245 120.400 0.162 0.000 2.367 166 K HA 0.268 4.590 4.320 0.004 0.000 0.275 166 K C 1.189 177.874 176.600 0.142 0.000 1.125 166 K CA 1.856 58.230 56.287 0.145 0.000 1.133 166 K CB -0.283 32.267 32.500 0.083 0.000 0.875 166 K HN 0.321 nan 8.250 nan 0.000 0.467 167 G N 3.018 111.912 108.800 0.157 0.000 2.352 167 G HA2 -0.303 3.659 3.960 0.004 0.000 0.204 167 G HA3 -0.303 3.659 3.960 0.004 0.000 0.204 167 G C 0.511 175.502 174.900 0.153 0.000 1.004 167 G CA 0.147 45.326 45.100 0.131 0.000 0.648 167 G HN 0.608 nan 8.290 nan 0.000 0.491 168 Y N 0.894 121.238 120.300 0.072 0.000 2.301 168 Y HA 0.586 5.138 4.550 0.004 0.000 0.295 168 Y C 1.450 177.343 175.900 -0.010 0.000 1.126 168 Y CA 0.412 58.514 58.100 0.002 0.000 1.154 168 Y CB 0.192 38.661 38.460 0.014 0.000 1.075 168 Y HN 0.158 nan 8.280 nan 0.000 0.534 169 L N 3.232 124.586 121.223 0.219 0.000 2.319 169 L HA 0.238 4.580 4.340 0.004 0.000 0.280 169 L C -2.096 174.896 176.870 0.203 0.000 1.099 169 L CA -2.034 52.970 54.840 0.272 0.000 0.828 169 L CB 0.469 42.647 42.059 0.199 0.000 1.150 169 L HN 0.035 nan 8.230 nan 0.000 0.442 170 P HA -0.075 nan 4.420 nan 0.000 0.266 170 P C -0.845 176.548 177.300 0.156 0.000 1.186 170 P CA 0.102 63.296 63.100 0.157 0.000 0.767 170 P CB 0.399 32.193 31.700 0.157 0.000 0.820 171 E N 2.600 122.879 120.200 0.132 0.000 2.014 171 E HA 0.228 4.580 4.350 0.004 0.000 0.275 171 E C 0.218 176.886 176.600 0.113 0.000 0.997 171 E CA -0.233 56.269 56.400 0.170 0.000 0.804 171 E CB 0.026 29.812 29.700 0.144 0.000 1.090 171 E HN 0.322 nan 8.360 nan 0.000 0.401 172 N N 1.687 120.461 118.700 0.123 0.000 2.431 172 N HA 0.386 5.129 4.740 0.004 0.000 0.289 172 N C -0.010 175.371 175.510 -0.215 0.000 1.277 172 N CA -0.410 52.585 53.050 -0.092 0.000 0.972 172 N CB 0.740 39.117 38.487 -0.183 0.000 1.143 172 N HN 0.255 nan 8.380 nan 0.000 0.578 173 L N 0.904 121.891 121.223 -0.394 0.000 2.307 173 L HA 0.437 4.779 4.340 0.004 0.000 0.284 173 L C -0.905 175.688 176.870 -0.462 0.000 1.023 173 L CA -0.479 54.177 54.840 -0.308 0.000 0.810 173 L CB 0.577 42.459 42.059 -0.295 0.000 1.231 173 L HN 0.298 nan 8.230 nan 0.000 0.423 174 F N 2.191 122.161 119.950 0.033 0.000 2.382 174 F HA 0.574 5.103 4.527 0.003 0.000 0.361 174 F C 0.670 176.518 175.800 0.080 0.000 1.109 174 F CA -0.603 57.439 58.000 0.070 0.000 1.031 174 F CB 1.337 40.384 39.000 0.078 0.000 1.234 174 F HN 0.471 nan 8.300 nan 0.000 0.445 175 A N 4.733 127.689 122.820 0.227 0.000 2.332 175 A HA 0.648 4.970 4.320 0.004 0.000 0.258 175 A C -2.378 175.346 177.584 0.233 0.000 1.087 175 A CA -1.548 50.634 52.037 0.241 0.000 0.802 175 A CB -0.024 19.191 19.000 0.359 0.000 1.042 175 A HN 0.416 nan 8.150 nan 0.000 0.489 176 P HA 0.183 nan 4.420 nan 0.000 0.269 176 P C -0.311 176.991 177.300 0.002 0.000 1.211 176 P CA 0.411 63.573 63.100 0.104 0.000 0.781 176 P CB 0.364 32.130 31.700 0.110 0.000 0.877 177 A N 3.582 126.360 122.820 -0.069 0.000 2.440 177 A HA 0.372 4.695 4.320 0.004 0.000 0.251 177 A C -2.095 175.255 177.584 -0.390 0.000 1.089 177 A CA -1.291 50.597 52.037 -0.248 0.000 0.779 177 A CB -1.184 17.721 19.000 -0.159 0.000 1.022 177 A HN 0.393 nan 8.150 nan 0.000 0.492 178 P HA 0.027 nan 4.420 nan 0.000 0.261 178 P C 0.092 177.250 177.300 -0.237 0.000 1.183 178 P CA 0.546 63.137 63.100 -0.849 0.000 0.761 178 P CB 0.446 31.052 31.700 -1.824 0.000 0.785 179 Q N 0.852 120.672 119.800 0.033 0.000 2.259 179 Q HA 0.053 4.396 4.340 0.004 0.000 0.201 179 Q C 0.377 176.444 176.000 0.112 0.000 0.938 179 Q CA 0.522 56.353 55.803 0.046 0.000 0.872 179 Q CB 0.075 28.831 28.738 0.029 0.000 0.971 179 Q HN 0.425 nan 8.270 nan 0.000 0.494 180 S N 1.386 117.208 115.700 0.204 0.000 2.549 180 S HA 0.117 4.590 4.470 0.004 0.000 0.286 180 S C -0.102 174.707 174.600 0.348 0.000 1.314 180 S CA 0.090 58.434 58.200 0.241 0.000 1.062 180 S CB 0.415 63.770 63.200 0.258 0.000 0.865 180 S HN 0.175 nan 8.310 nan 0.000 0.498 181 R N 1.813 122.478 120.500 0.274 0.000 2.457 181 R HA 0.257 4.599 4.340 0.004 0.000 0.284 181 R C 1.331 177.769 176.300 0.229 0.000 1.024 181 R CA -0.725 55.508 56.100 0.221 0.000 1.025 181 R CB 0.404 30.783 30.300 0.132 0.000 1.063 181 R HN 0.606 nan 8.270 nan 0.000 0.493 182 M N 1.668 121.329 119.600 0.102 0.000 2.106 182 M HA -0.214 4.268 4.480 0.004 0.000 0.259 182 M C 0.893 177.187 176.300 -0.011 0.000 1.068 182 M CA 2.013 57.290 55.300 -0.038 0.000 1.100 182 M CB -0.173 32.349 32.600 -0.130 0.000 1.351 182 M HN 0.567 nan 8.290 nan 0.000 0.404 183 D N -0.022 120.399 120.400 0.035 0.000 2.178 183 D HA 0.028 4.671 4.640 0.004 0.000 0.202 183 D C 1.238 177.589 176.300 0.085 0.000 0.974 183 D CA 1.419 55.445 54.000 0.044 0.000 0.841 183 D CB -0.253 40.572 40.800 0.041 0.000 0.953 183 D HN 0.532 nan 8.370 nan 0.000 0.478 184 G N -0.756 108.128 108.800 0.140 0.000 3.039 184 G HA2 0.510 4.472 3.960 0.004 0.000 0.159 184 G HA3 0.510 4.472 3.960 0.004 0.000 0.159 184 G C -0.337 174.706 174.900 0.238 0.000 1.284 184 G CA 0.167 45.360 45.100 0.155 0.000 0.996 184 G HN 0.205 nan 8.290 nan 0.000 0.592 185 E N -0.674 119.629 120.200 0.173 0.000 2.283 185 E HA 0.470 4.822 4.350 0.004 0.000 0.271 185 E C -0.548 176.127 176.600 0.125 0.000 1.031 185 E CA -1.067 55.425 56.400 0.155 0.000 0.868 185 E CB 1.048 30.797 29.700 0.082 0.000 1.094 185 E HN 0.550 nan 8.360 nan 0.000 0.401 186 W N 2.124 123.298 121.300 -0.209 0.000 2.215 186 W HA 0.453 5.114 4.660 0.002 0.000 0.342 186 W C -0.844 175.570 176.519 -0.175 0.000 1.237 186 W CA -0.036 57.096 57.345 -0.356 0.000 1.283 186 W CB 1.079 30.214 29.460 -0.541 0.000 1.131 186 W HN 0.599 nan 8.180 nan 0.000 0.606 187 D N 3.600 123.319 120.400 -1.136 0.000 2.616 187 D HA -0.003 4.640 4.640 0.004 0.000 0.238 187 D C 0.345 175.861 176.300 -1.306 0.000 1.354 187 D CA -0.199 53.274 54.000 -0.878 0.000 0.970 187 D CB 1.629 42.151 40.800 -0.463 0.000 1.369 187 D HN 0.432 nan 8.370 nan 0.000 0.585 188 E N 2.282 121.968 120.200 -0.856 0.000 2.219 188 E HA -0.174 4.178 4.350 0.004 0.000 0.198 188 E C 1.807 178.185 176.600 -0.370 0.000 0.998 188 E CA 1.100 57.221 56.400 -0.464 0.000 0.818 188 E CB 0.071 29.707 29.700 -0.107 0.000 0.741 188 E HN 0.429 nan 8.360 nan 0.000 0.477 189 R N 0.108 120.415 120.500 -0.322 0.000 2.241 189 R HA -0.142 4.200 4.340 0.004 0.000 0.224 189 R C 1.360 177.557 176.300 -0.170 0.000 1.101 189 R CA 1.173 57.161 56.100 -0.186 0.000 0.995 189 R CB -0.058 30.158 30.300 -0.141 0.000 0.870 189 R HN 0.162 nan 8.270 nan 0.000 0.463 190 D N 0.009 120.223 120.400 -0.310 0.000 2.178 190 D HA -0.145 4.497 4.640 0.004 0.000 0.201 190 D C 1.530 177.854 176.300 0.040 0.000 0.980 190 D CA 0.976 54.890 54.000 -0.142 0.000 0.842 190 D CB 0.180 40.777 40.800 -0.339 0.000 0.948 190 D HN 0.137 nan 8.370 nan 0.000 0.472 191 M N 0.236 119.732 119.600 -0.173 0.000 2.492 191 M HA -0.047 4.436 4.480 0.004 0.000 0.262 191 M C 2.296 178.693 176.300 0.162 0.000 1.090 191 M CA 0.355 55.631 55.300 -0.040 0.000 1.110 191 M CB -0.762 31.772 32.600 -0.109 0.000 1.407 191 M HN 0.047 nan 8.290 nan 0.000 0.470 192 V N -0.821 119.156 119.914 0.105 0.000 2.287 192 V HA -0.108 4.014 4.120 0.004 0.000 0.248 192 V C 2.196 178.392 176.094 0.171 0.000 1.053 192 V CA 2.359 64.726 62.300 0.113 0.000 1.027 192 V CB -1.946 29.913 31.823 0.060 0.000 0.646 192 V HN 0.381 nan 8.190 nan 0.000 0.447 193 G N -0.652 108.272 108.800 0.206 0.000 2.491 193 G HA2 -0.354 3.608 3.960 0.004 0.000 0.218 193 G HA3 -0.354 3.608 3.960 0.004 0.000 0.218 193 G C 1.532 176.595 174.900 0.271 0.000 1.180 193 G CA 1.350 46.581 45.100 0.218 0.000 0.774 193 G HN 0.620 nan 8.290 nan 0.000 0.562 194 F N 2.351 122.446 119.950 0.242 0.000 2.134 194 F HA 0.081 4.611 4.527 0.004 0.000 0.299 194 F C 2.868 178.772 175.800 0.174 0.000 1.097 194 F CA 1.424 59.574 58.000 0.250 0.000 1.264 194 F CB -0.286 38.975 39.000 0.434 0.000 1.001 194 F HN 0.240 nan 8.300 nan 0.000 0.479 195 A N 0.644 123.687 122.820 0.372 0.000 1.883 195 A HA -0.243 4.080 4.320 0.004 0.000 0.217 195 A C 2.299 179.930 177.584 0.078 0.000 1.186 195 A CA 1.823 53.984 52.037 0.207 0.000 0.624 195 A CB -0.807 18.298 19.000 0.174 0.000 0.822 195 A HN 0.358 nan 8.150 nan 0.000 0.444 196 R N 0.282 120.831 120.500 0.082 0.000 2.073 196 R HA -0.050 4.292 4.340 0.004 0.000 0.234 196 R C 1.968 178.281 176.300 0.021 0.000 1.134 196 R CA 1.894 58.021 56.100 0.045 0.000 0.952 196 R CB -1.284 29.053 30.300 0.061 0.000 0.850 196 R HN 0.557 nan 8.270 nan 0.000 0.433 197 L N 0.146 121.381 121.223 0.019 0.000 2.046 197 L HA -0.189 4.153 4.340 0.004 0.000 0.208 197 L C 2.579 179.448 176.870 -0.002 0.000 1.077 197 L CA 1.628 56.492 54.840 0.040 0.000 0.747 197 L CB -0.438 41.596 42.059 -0.042 0.000 0.896 197 L HN 0.217 nan 8.230 nan 0.000 0.432 198 M N -0.059 119.446 119.600 -0.160 0.000 2.159 198 M HA -0.118 4.364 4.480 0.004 0.000 0.263 198 M C 2.175 178.427 176.300 -0.080 0.000 1.063 198 M CA 2.033 57.238 55.300 -0.158 0.000 1.110 198 M CB -0.407 32.079 32.600 -0.190 0.000 1.374 198 M HN 0.160 nan 8.290 nan 0.000 0.411 199 A N -0.414 122.369 122.820 -0.061 0.000 1.897 199 A HA 0.201 4.524 4.320 0.004 0.000 0.215 199 A C 2.265 179.781 177.584 -0.113 0.000 1.181 199 A CA 1.569 53.559 52.037 -0.077 0.000 0.620 199 A CB -1.269 17.704 19.000 -0.044 0.000 0.821 199 A HN 0.620 nan 8.150 nan 0.000 0.443 200 A N -1.762 120.981 122.820 -0.128 0.000 2.167 200 A HA 0.095 4.417 4.320 0.004 0.000 0.214 200 A C 1.185 178.510 177.584 -0.433 0.000 1.151 200 A CA 1.381 53.248 52.037 -0.283 0.000 0.735 200 A CB -0.488 18.279 19.000 -0.388 0.000 0.802 200 A HN 0.696 nan 8.150 nan 0.000 0.467 201 H N -1.993 117.100 119.070 0.038 0.000 3.124 201 H HA 0.119 4.678 4.556 0.004 0.000 0.250 201 H C 1.555 176.931 175.328 0.080 0.000 1.184 201 H CA 0.001 56.109 56.048 0.101 0.000 1.013 201 H CB 0.331 30.083 29.762 -0.017 0.000 1.891 201 H HN 0.546 nan 8.280 nan 0.000 0.687 202 R N 0.626 121.117 120.500 -0.014 0.000 2.140 202 R HA -0.229 4.113 4.340 0.004 0.000 0.250 202 R C 0.978 177.220 176.300 -0.097 0.000 1.150 202 R CA 2.301 58.320 56.100 -0.135 0.000 0.966 202 R CB -0.996 29.148 30.300 -0.259 0.000 0.869 202 R HN 0.633 nan 8.270 nan 0.000 0.445 203 H N 0.485 119.480 119.070 -0.125 0.000 2.529 203 H HA 0.060 4.618 4.556 0.004 0.000 0.277 203 H C 0.983 176.187 175.328 -0.206 0.000 0.999 203 H CA 0.856 56.807 56.048 -0.162 0.000 1.256 203 H CB 0.005 29.699 29.762 -0.114 0.000 1.402 203 H HN 0.643 nan 8.280 nan 0.000 0.566 204 E N 1.560 121.771 120.200 0.017 0.000 2.526 204 E HA 0.200 4.553 4.350 0.004 0.000 0.208 204 E C 0.127 176.587 176.600 -0.234 0.000 0.997 204 E CA -0.230 56.090 56.400 -0.132 0.000 0.961 204 E CB 0.363 30.005 29.700 -0.097 0.000 1.030 204 E HN 0.347 nan 8.360 nan 0.000 0.483 205 I N 2.106 122.531 120.570 -0.242 0.000 2.322 205 I HA 0.161 4.334 4.170 0.004 0.000 0.292 205 I C 1.113 176.972 176.117 -0.430 0.000 1.060 205 I CA -0.371 60.745 61.300 -0.307 0.000 1.309 205 I CB 1.483 39.358 38.000 -0.208 0.000 1.415 205 I HN 0.147 nan 8.210 nan 0.000 0.492 206 A N 5.694 128.209 122.820 -0.509 0.000 1.897 206 A HA 0.429 4.752 4.320 0.004 0.000 0.215 206 A C 1.052 178.599 177.584 -0.062 0.000 1.181 206 A CA 1.263 53.069 52.037 -0.386 0.000 0.620 206 A CB 0.054 18.814 19.000 -0.401 0.000 0.821 206 A HN 0.765 nan 8.150 nan 0.000 0.443 207 A N -1.911 120.773 122.820 -0.226 0.000 2.604 207 A HA 0.561 4.883 4.320 0.004 0.000 0.295 207 A C -1.133 176.472 177.584 0.034 0.000 1.067 207 A CA -0.401 51.642 52.037 0.011 0.000 0.683 207 A CB 0.862 19.959 19.000 0.161 0.000 1.281 207 A HN 0.420 nan 8.150 nan 0.000 0.407 208 V N 2.150 122.092 119.914 0.046 0.000 2.407 208 V HA 0.507 4.629 4.120 0.004 0.000 0.278 208 V C -0.116 175.965 176.094 -0.022 0.000 1.037 208 V CA -0.168 62.153 62.300 0.035 0.000 0.900 208 V CB 1.180 33.065 31.823 0.103 0.000 0.983 208 V HN 0.721 nan 8.190 nan 0.000 0.459 209 I N 7.323 127.837 120.570 -0.092 0.000 2.436 209 I HA 0.733 4.905 4.170 0.004 0.000 0.289 209 I C -0.781 175.181 176.117 -0.258 0.000 1.010 209 I CA -0.567 60.607 61.300 -0.210 0.000 1.098 209 I CB 1.174 38.964 38.000 -0.350 0.000 1.266 209 I HN 0.766 nan 8.210 nan 0.000 0.434 210 I N 2.598 123.043 120.570 -0.208 0.000 3.004 210 I HA 0.511 4.684 4.170 0.004 0.000 0.305 210 I C -1.395 174.802 176.117 0.134 0.000 1.312 210 I CA -0.900 60.297 61.300 -0.171 0.000 0.992 210 I CB 2.227 39.689 38.000 -0.897 0.000 1.282 210 I HN 0.450 nan 8.210 nan 0.000 0.449 211 E N 4.497 124.886 120.200 0.315 0.000 2.152 211 E HA 0.321 4.673 4.350 0.004 0.000 0.285 211 E C -2.394 174.433 176.600 0.378 0.000 1.043 211 E CA -1.756 54.803 56.400 0.266 0.000 0.839 211 E CB 0.822 30.640 29.700 0.197 0.000 1.069 211 E HN 0.370 nan 8.360 nan 0.000 0.399 212 P HA -0.027 nan 4.420 nan 0.000 0.271 212 P C 0.657 177.965 177.300 0.013 0.000 1.226 212 P CA 0.079 63.309 63.100 0.217 0.000 0.765 212 P CB 0.677 32.453 31.700 0.126 0.000 0.835 213 I N 0.366 120.703 120.570 -0.388 0.000 4.381 213 I HA -0.278 3.894 4.170 0.004 0.000 0.070 213 I C 0.405 176.151 176.117 -0.618 0.000 0.586 213 I CA 1.489 62.239 61.300 -0.915 0.000 1.055 213 I CB -2.045 35.700 38.000 -0.426 0.000 0.943 213 I HN 0.169 nan 8.210 nan 0.000 0.171 214 V N 3.736 123.555 119.914 -0.159 0.000 2.384 214 V HA 0.351 4.473 4.120 0.004 0.000 0.287 214 V C 0.356 176.521 176.094 0.119 0.000 1.020 214 V CA -0.469 61.835 62.300 0.007 0.000 0.850 214 V CB 1.568 33.435 31.823 0.074 0.000 0.987 214 V HN 0.236 nan 8.190 nan 0.000 0.436 215 Q N 3.128 123.023 119.800 0.157 0.000 2.360 215 Q HA 0.402 4.744 4.340 0.004 0.000 0.254 215 Q C 1.013 177.097 176.000 0.140 0.000 0.975 215 Q CA -0.028 55.867 55.803 0.152 0.000 0.912 215 Q CB 1.921 30.739 28.738 0.133 0.000 1.212 215 Q HN 0.918 nan 8.270 nan 0.000 0.452 216 G N 1.782 110.678 108.800 0.159 0.000 2.654 216 G HA2 -0.109 3.853 3.960 0.004 0.000 0.215 216 G HA3 -0.109 3.853 3.960 0.004 0.000 0.215 216 G C 1.153 176.162 174.900 0.181 0.000 1.310 216 G CA 0.668 45.936 45.100 0.279 0.000 0.866 216 G HN 0.646 nan 8.290 nan 0.000 0.558 217 A N 0.281 123.144 122.820 0.071 0.000 2.070 217 A HA 0.196 4.519 4.320 0.004 0.000 0.220 217 A C 2.372 179.911 177.584 -0.074 0.000 1.159 217 A CA 1.954 53.860 52.037 -0.218 0.000 0.656 217 A CB -0.651 17.907 19.000 -0.737 0.000 0.800 217 A HN 0.694 nan 8.150 nan 0.000 0.453 218 G N -2.238 106.588 108.800 0.042 0.000 3.141 218 G HA2 0.395 4.357 3.960 0.004 0.000 0.218 218 G HA3 0.395 4.357 3.960 0.004 0.000 0.218 218 G C 0.781 175.736 174.900 0.091 0.000 1.170 218 G CA 0.750 45.892 45.100 0.070 0.000 0.769 218 G HN 1.429 nan 8.290 nan 0.000 0.546 219 G N -0.730 108.142 108.800 0.121 0.000 3.732 219 G HA2 -0.074 3.889 3.960 0.004 0.000 0.220 219 G HA3 -0.074 3.889 3.960 0.004 0.000 0.220 219 G C 0.593 175.498 174.900 0.009 0.000 0.903 219 G CA -0.051 45.078 45.100 0.049 0.000 0.896 219 G HN 0.252 nan 8.290 nan 0.000 0.685 220 M N 0.430 120.056 119.600 0.043 0.000 2.206 220 M HA -0.148 4.334 4.480 0.004 0.000 0.197 220 M C 0.419 176.730 176.300 0.019 0.000 0.375 220 M CA 0.881 56.186 55.300 0.008 0.000 0.410 220 M CB -1.967 30.556 32.600 -0.129 0.000 1.204 220 M HN 0.569 nan 8.290 nan 0.000 0.932 221 R N 0.067 120.594 120.500 0.046 0.000 2.459 221 R HA 0.727 5.070 4.340 0.004 0.000 0.281 221 R C 0.261 176.596 176.300 0.058 0.000 1.050 221 R CA -0.295 55.833 56.100 0.045 0.000 1.055 221 R CB 0.984 31.307 30.300 0.039 0.000 1.045 221 R HN 0.382 nan 8.270 nan 0.000 0.495 222 M N 3.618 123.244 119.600 0.043 0.000 2.053 222 M HA 0.287 4.769 4.480 0.004 0.000 0.297 222 M C -1.346 174.970 176.300 0.027 0.000 0.921 222 M CA -0.789 54.500 55.300 -0.019 0.000 0.918 222 M CB 1.336 33.919 32.600 -0.029 0.000 1.499 222 M HN 0.550 nan 8.290 nan 0.000 0.422 223 Y N -0.874 119.413 120.300 -0.022 0.000 2.602 223 Y HA 0.599 5.151 4.550 0.003 0.000 0.330 223 Y C -0.092 175.895 175.900 0.145 0.000 1.114 223 Y CA -1.266 56.862 58.100 0.046 0.000 1.182 223 Y CB 0.592 39.003 38.460 -0.082 0.000 1.305 223 Y HN 0.493 nan 8.280 nan 0.000 0.502 224 H N 2.932 122.275 119.070 0.454 0.000 2.848 224 H HA 0.133 4.691 4.556 0.003 0.000 0.341 224 H C -1.900 173.651 175.328 0.372 0.000 1.060 224 H CA -1.834 54.432 56.048 0.364 0.000 1.444 224 H CB 1.755 31.812 29.762 0.491 0.000 1.446 224 H HN 0.515 nan 8.280 nan 0.000 0.583 225 P HA -0.132 nan 4.420 nan 0.000 0.222 225 P C 1.218 178.656 177.300 0.230 0.000 1.147 225 P CA 0.950 64.126 63.100 0.127 0.000 0.790 225 P CB 0.351 32.033 31.700 -0.030 0.000 0.780 226 E N -1.006 119.384 120.200 0.316 0.000 2.209 226 E HA -0.198 4.154 4.350 0.004 0.000 0.196 226 E C 1.666 178.096 176.600 -0.284 0.000 0.993 226 E CA 1.234 57.466 56.400 -0.279 0.000 0.819 226 E CB -0.985 28.008 29.700 -1.178 0.000 0.745 226 E HN 0.253 nan 8.360 nan 0.000 0.477 227 W N 0.253 121.582 121.300 0.048 0.000 2.321 227 W HA -0.182 4.480 4.660 0.004 0.000 0.306 227 W C 1.997 178.593 176.519 0.128 0.000 1.217 227 W CA 1.325 58.788 57.345 0.197 0.000 1.257 227 W CB -0.235 29.460 29.460 0.392 0.000 1.145 227 W HN 0.132 nan 8.180 nan 0.000 0.509 228 L N -0.319 121.169 121.223 0.442 0.000 2.109 228 L HA -0.176 4.166 4.340 0.004 0.000 0.207 228 L C 2.372 179.316 176.870 0.123 0.000 1.086 228 L CA 1.151 56.160 54.840 0.281 0.000 0.760 228 L CB -0.779 41.430 42.059 0.250 0.000 0.910 228 L HN -0.067 nan 8.230 nan 0.000 0.437 229 K N -0.272 120.161 120.400 0.055 0.000 2.002 229 K HA -0.160 4.162 4.320 0.004 0.000 0.209 229 K C 2.404 178.986 176.600 -0.030 0.000 1.048 229 K CA 1.220 57.498 56.287 -0.015 0.000 0.930 229 K CB 0.042 32.493 32.500 -0.082 0.000 0.714 229 K HN 0.103 nan 8.250 nan 0.000 0.438 230 R N 0.615 121.069 120.500 -0.076 0.000 2.080 230 R HA -0.123 4.219 4.340 0.004 0.000 0.236 230 R C 2.336 178.629 176.300 -0.012 0.000 1.137 230 R CA 1.428 57.479 56.100 -0.081 0.000 0.943 230 R CB -0.817 29.375 30.300 -0.179 0.000 0.846 230 R HN 0.317 nan 8.270 nan 0.000 0.431 231 I N 0.480 121.057 120.570 0.012 0.000 2.208 231 I HA -0.298 3.875 4.170 0.004 0.000 0.245 231 I C 2.701 178.856 176.117 0.063 0.000 1.097 231 I CA 1.318 62.623 61.300 0.008 0.000 1.363 231 I CB -0.249 37.745 38.000 -0.010 0.000 1.051 231 I HN 0.074 nan 8.210 nan 0.000 0.413 232 R N 1.472 122.000 120.500 0.048 0.000 2.096 232 R HA -0.192 4.150 4.340 0.004 0.000 0.235 232 R C 2.060 178.385 176.300 0.040 0.000 1.127 232 R CA 1.663 57.786 56.100 0.040 0.000 0.968 232 R CB -0.197 30.119 30.300 0.026 0.000 0.861 232 R HN 0.031 nan 8.270 nan 0.000 0.440 233 K N 0.091 120.511 120.400 0.033 0.000 2.057 233 K HA 0.066 4.389 4.320 0.004 0.000 0.206 233 K C 1.870 178.504 176.600 0.057 0.000 1.050 233 K CA 1.571 57.877 56.287 0.032 0.000 0.935 233 K CB -0.222 32.286 32.500 0.014 0.000 0.715 233 K HN 0.198 nan 8.250 nan 0.000 0.439 234 I N -0.099 120.524 120.570 0.088 0.000 2.226 234 I HA -0.381 3.791 4.170 0.004 0.000 0.245 234 I C 2.063 178.252 176.117 0.121 0.000 1.100 234 I CA 0.990 62.369 61.300 0.131 0.000 1.374 234 I CB -0.234 37.913 38.000 0.246 0.000 1.057 234 I HN 0.180 nan 8.210 nan 0.000 0.413 235 C N 0.410 119.783 119.300 0.122 0.000 2.446 235 C HA -0.146 4.316 4.460 0.004 0.000 0.277 235 C C 2.474 177.512 174.990 0.081 0.000 1.275 235 C CA 0.641 59.721 59.018 0.103 0.000 1.727 235 C CB -0.976 26.820 27.740 0.093 0.000 2.010 235 C HN 0.514 nan 8.230 nan 0.000 0.486 236 D N 0.385 120.822 120.400 0.062 0.000 2.103 236 D HA -0.155 4.488 4.640 0.004 0.000 0.190 236 D C 2.294 178.626 176.300 0.054 0.000 0.997 236 D CA 1.223 55.254 54.000 0.051 0.000 0.833 236 D CB -0.510 40.311 40.800 0.034 0.000 0.961 236 D HN 0.421 nan 8.370 nan 0.000 0.447 237 R N 0.354 120.883 120.500 0.049 0.000 2.083 237 R HA -0.122 4.220 4.340 0.004 0.000 0.237 237 R C 1.639 177.963 176.300 0.040 0.000 1.137 237 R CA 1.219 57.343 56.100 0.040 0.000 0.951 237 R CB 0.127 30.449 30.300 0.037 0.000 0.851 237 R HN 0.136 nan 8.270 nan 0.000 0.434 238 E N -1.053 119.175 120.200 0.045 0.000 2.481 238 E HA 0.035 4.388 4.350 0.004 0.000 0.195 238 E C 0.904 177.540 176.600 0.060 0.000 1.047 238 E CA 0.788 57.204 56.400 0.028 0.000 0.867 238 E CB 0.565 30.270 29.700 0.009 0.000 0.858 238 E HN 0.596 nan 8.360 nan 0.000 0.513 239 G N 1.948 110.812 108.800 0.107 0.000 2.160 239 G HA2 -0.296 3.666 3.960 0.004 0.000 0.251 239 G HA3 -0.296 3.666 3.960 0.004 0.000 0.251 239 G C 0.263 175.355 174.900 0.321 0.000 1.008 239 G CA 0.346 45.567 45.100 0.202 0.000 0.724 239 G HN 0.259 nan 8.290 nan 0.000 0.514 240 I N 0.291 120.986 120.570 0.208 0.000 2.428 240 I HA 0.424 4.597 4.170 0.004 0.000 0.296 240 I C 1.087 177.321 176.117 0.195 0.000 0.985 240 I CA -1.089 60.353 61.300 0.236 0.000 1.260 240 I CB 1.285 39.333 38.000 0.081 0.000 1.389 240 I HN -0.050 nan 8.210 nan 0.000 0.484 241 L N 5.535 126.887 121.223 0.215 0.000 2.397 241 L HA 0.220 4.562 4.340 0.004 0.000 0.271 241 L C -0.398 176.486 176.870 0.024 0.000 1.148 241 L CA -0.367 54.495 54.840 0.036 0.000 0.825 241 L CB 0.674 42.695 42.059 -0.065 0.000 1.117 241 L HN 0.380 nan 8.230 nan 0.000 0.456 242 L N 4.934 126.145 121.223 -0.020 0.000 2.287 242 L HA 0.522 4.865 4.340 0.004 0.000 0.287 242 L C -0.555 176.280 176.870 -0.059 0.000 1.022 242 L CA 0.100 54.928 54.840 -0.021 0.000 0.814 242 L CB 1.041 43.092 42.059 -0.012 0.000 1.217 242 L HN 0.347 nan 8.230 nan 0.000 0.420 243 I N 5.523 126.054 120.570 -0.065 0.000 2.330 243 I HA 0.544 4.716 4.170 0.004 0.000 0.289 243 I C 0.051 176.106 176.117 -0.103 0.000 1.001 243 I CA -0.546 60.694 61.300 -0.099 0.000 1.193 243 I CB 1.638 39.567 38.000 -0.118 0.000 1.345 243 I HN 0.799 nan 8.210 nan 0.000 0.461 244 A N 4.845 127.609 122.820 -0.093 0.000 2.260 244 A HA 0.348 4.670 4.320 0.004 0.000 0.308 244 A C -0.522 177.024 177.584 -0.064 0.000 1.254 244 A CA -0.455 51.545 52.037 -0.062 0.000 0.874 244 A CB 0.478 19.443 19.000 -0.058 0.000 1.153 244 A HN 0.663 nan 8.150 nan 0.000 0.527 245 D N 2.576 122.971 120.400 -0.009 0.000 2.456 245 D HA 0.167 4.809 4.640 0.004 0.000 0.219 245 D C 0.151 176.441 176.300 -0.017 0.000 1.126 245 D CA 0.027 54.032 54.000 0.008 0.000 0.890 245 D CB 0.595 41.497 40.800 0.171 0.000 1.025 245 D HN 0.577 nan 8.370 nan 0.000 0.511 246 E N 3.433 123.596 120.200 -0.062 0.000 2.496 246 E HA 0.110 4.462 4.350 0.004 0.000 0.202 246 E C 1.592 178.124 176.600 -0.114 0.000 1.021 246 E CA -0.215 56.136 56.400 -0.081 0.000 1.015 246 E CB 0.577 30.240 29.700 -0.061 0.000 1.102 246 E HN 0.613 nan 8.360 nan 0.000 0.452 247 I N 0.978 121.481 120.570 -0.112 0.000 2.315 247 I HA -0.308 3.864 4.170 0.004 0.000 0.251 247 I C 2.275 178.250 176.117 -0.237 0.000 1.125 247 I CA 1.432 62.666 61.300 -0.111 0.000 1.392 247 I CB 0.001 37.948 38.000 -0.089 0.000 1.065 247 I HN 0.138 nan 8.210 nan 0.000 0.424 248 A N -0.057 122.501 122.820 -0.437 0.000 1.942 248 A HA -0.056 4.267 4.320 0.004 0.000 0.209 248 A C 2.288 179.483 177.584 -0.649 0.000 1.214 248 A CA 1.070 52.526 52.037 -0.968 0.000 0.686 248 A CB -0.759 17.333 19.000 -1.513 0.000 0.871 248 A HN 0.405 nan 8.150 nan 0.000 0.460 249 T N -1.824 112.520 114.554 -0.350 0.000 3.055 249 T HA 0.263 4.615 4.350 0.004 0.000 0.265 249 T C 1.138 175.782 174.700 -0.093 0.000 1.111 249 T CA 0.497 62.516 62.100 -0.135 0.000 1.118 249 T CB -0.584 68.251 68.868 -0.055 0.000 0.909 249 T HN 0.454 nan 8.240 nan 0.000 0.501 250 G N 0.559 109.275 108.800 -0.140 0.000 2.594 250 G HA2 0.383 4.345 3.960 0.004 0.000 0.243 250 G HA3 0.383 4.345 3.960 0.004 0.000 0.243 250 G C -0.319 174.362 174.900 -0.365 0.000 1.229 250 G CA -0.765 44.137 45.100 -0.331 0.000 0.843 250 G HN 0.341 nan 8.290 nan 0.000 0.578 251 F N -0.683 118.965 119.950 -0.503 0.000 3.030 251 F HA -0.190 4.339 4.527 0.004 0.000 0.309 251 F C 1.722 177.196 175.800 -0.543 0.000 0.941 251 F CA 1.409 59.065 58.000 -0.573 0.000 1.082 251 F CB -1.556 37.256 39.000 -0.314 0.000 1.113 251 F HN 1.707 nan 8.300 nan 0.000 0.716 252 G N -1.086 107.349 108.800 -0.608 0.000 2.217 252 G HA2 -0.428 3.534 3.960 0.004 0.000 0.246 252 G HA3 -0.428 3.534 3.960 0.004 0.000 0.246 252 G C 0.983 175.789 174.900 -0.157 0.000 0.990 252 G CA 0.582 45.251 45.100 -0.718 0.000 0.627 252 G HN 0.640 nan 8.290 nan 0.000 0.522 253 R N 1.489 122.037 120.500 0.080 0.000 2.127 253 R HA -0.045 4.297 4.340 0.004 0.000 0.238 253 R C 2.589 178.998 176.300 0.183 0.000 1.134 253 R CA 2.838 59.085 56.100 0.245 0.000 0.975 253 R CB -0.806 29.710 30.300 0.361 0.000 0.865 253 R HN 0.762 nan 8.270 nan 0.000 0.447 254 T N -4.073 110.571 114.554 0.151 0.000 3.163 254 T HA 0.321 4.674 4.350 0.004 0.000 0.252 254 T C 1.140 175.980 174.700 0.233 0.000 1.056 254 T CA 0.253 62.467 62.100 0.191 0.000 0.947 254 T CB 0.410 69.406 68.868 0.214 0.000 1.016 254 T HN 0.392 nan 8.240 nan 0.000 0.554 255 G N 0.868 109.781 108.800 0.188 0.000 2.176 255 G HA2 -0.175 3.788 3.960 0.004 0.000 0.232 255 G HA3 -0.175 3.788 3.960 0.004 0.000 0.232 255 G C -0.070 174.982 174.900 0.254 0.000 0.986 255 G CA -0.052 45.179 45.100 0.219 0.000 0.643 255 G HN 0.630 nan 8.290 nan 0.000 0.522 256 K N -0.645 119.851 120.400 0.159 0.000 2.443 256 K HA 0.583 4.906 4.320 0.004 0.000 0.251 256 K C 0.831 177.409 176.600 -0.037 0.000 0.972 256 K CA -0.854 55.479 56.287 0.077 0.000 0.833 256 K CB 2.100 34.416 32.500 -0.307 0.000 1.317 256 K HN 0.067 nan 8.250 nan 0.000 0.441 257 L N 1.137 122.337 121.223 -0.038 0.000 2.012 257 L HA 0.002 4.345 4.340 0.004 0.000 0.210 257 L C -0.110 176.232 176.870 -0.880 0.000 1.073 257 L CA 2.012 56.534 54.840 -0.529 0.000 0.748 257 L CB -0.082 41.812 42.059 -0.274 0.000 0.891 257 L HN 0.455 nan 8.230 nan 0.000 0.431 258 F N -2.389 117.468 119.950 -0.155 0.000 2.556 258 F HA 0.524 5.054 4.527 0.004 0.000 0.314 258 F C 1.036 176.781 175.800 -0.093 0.000 1.106 258 F CA -0.411 57.483 58.000 -0.177 0.000 0.911 258 F CB 1.135 40.019 39.000 -0.194 0.000 1.190 258 F HN -0.157 nan 8.300 nan 0.000 0.448 259 A N 0.504 123.406 122.820 0.137 0.000 2.076 259 A HA -0.158 4.165 4.320 0.004 0.000 0.220 259 A C 1.971 179.661 177.584 0.176 0.000 1.160 259 A CA 1.723 53.880 52.037 0.200 0.000 0.653 259 A CB -1.198 17.895 19.000 0.155 0.000 0.801 259 A HN 0.921 nan 8.150 nan 0.000 0.455 260 C N -0.317 119.055 119.300 0.119 0.000 2.403 260 C HA -0.137 4.326 4.460 0.004 0.000 0.282 260 C C 2.471 177.502 174.990 0.069 0.000 1.297 260 C CA 1.258 60.325 59.018 0.082 0.000 1.785 260 C CB -1.321 26.435 27.740 0.026 0.000 1.963 260 C HN 0.674 nan 8.230 nan 0.000 0.507 261 E N -0.564 119.661 120.200 0.042 0.000 2.265 261 E HA -0.202 4.151 4.350 0.004 0.000 0.196 261 E C 1.460 178.024 176.600 -0.061 0.000 0.996 261 E CA 1.003 57.392 56.400 -0.018 0.000 0.832 261 E CB -0.236 29.439 29.700 -0.042 0.000 0.756 261 E HN 0.781 nan 8.360 nan 0.000 0.491 262 H N -0.358 118.726 119.070 0.022 0.000 2.489 262 H HA -0.036 4.522 4.556 0.004 0.000 0.293 262 H C 1.586 176.908 175.328 -0.009 0.000 1.066 262 H CA 1.191 57.236 56.048 -0.006 0.000 1.305 262 H CB 0.219 29.961 29.762 -0.033 0.000 1.386 262 H HN 0.160 nan 8.280 nan 0.000 0.551 263 A N -0.189 122.697 122.820 0.110 0.000 2.419 263 A HA 0.137 4.460 4.320 0.004 0.000 0.233 263 A C 0.401 178.007 177.584 0.037 0.000 1.217 263 A CA 0.010 52.089 52.037 0.070 0.000 0.944 263 A CB 0.470 19.523 19.000 0.090 0.000 1.025 263 A HN 0.397 nan 8.150 nan 0.000 0.524 264 E N -0.726 119.491 120.200 0.030 0.000 2.389 264 E HA -0.227 4.125 4.350 0.004 0.000 0.243 264 E C -0.196 176.412 176.600 0.012 0.000 1.154 264 E CA 0.735 57.143 56.400 0.015 0.000 0.723 264 E CB -1.998 27.706 29.700 0.007 0.000 1.261 264 E HN 0.875 nan 8.360 nan 0.000 0.390 265 I N -3.455 117.125 120.570 0.018 0.000 3.133 265 I HA 0.834 5.006 4.170 0.004 0.000 0.311 265 I C -0.347 175.765 176.117 -0.008 0.000 1.072 265 I CA -0.959 60.346 61.300 0.008 0.000 1.015 265 I CB 2.007 40.018 38.000 0.019 0.000 1.233 265 I HN -0.051 nan 8.210 nan 0.000 0.473 266 A N 2.650 125.457 122.820 -0.022 0.000 2.359 266 A HA 0.884 5.206 4.320 0.004 0.000 0.303 266 A C -2.778 174.774 177.584 -0.053 0.000 1.066 266 A CA -1.497 50.511 52.037 -0.049 0.000 0.730 266 A CB 0.657 19.625 19.000 -0.052 0.000 1.211 266 A HN 0.639 nan 8.150 nan 0.000 0.439 267 P HA 0.256 nan 4.420 nan 0.000 0.276 267 P C -0.305 176.935 177.300 -0.099 0.000 1.261 267 P CA -0.175 62.878 63.100 -0.078 0.000 0.800 267 P CB 1.054 32.698 31.700 -0.093 0.000 1.066 268 D N -0.391 119.943 120.400 -0.109 0.000 2.249 268 D HA 0.097 4.739 4.640 0.004 0.000 0.205 268 D C 0.576 176.774 176.300 -0.169 0.000 0.962 268 D CA 1.275 55.187 54.000 -0.146 0.000 0.860 268 D CB 0.405 41.097 40.800 -0.180 0.000 0.955 268 D HN 0.323 nan 8.370 nan 0.000 0.505 269 I N 1.051 121.526 120.570 -0.157 0.000 2.569 269 I HA 0.226 4.398 4.170 0.004 0.000 0.290 269 I C -1.311 174.714 176.117 -0.153 0.000 1.088 269 I CA -0.909 60.291 61.300 -0.165 0.000 1.047 269 I CB 2.943 40.839 38.000 -0.173 0.000 1.237 269 I HN -0.236 nan 8.210 nan 0.000 0.421 270 L N 6.828 127.954 121.223 -0.161 0.000 2.356 270 L HA 0.633 4.975 4.340 0.004 0.000 0.277 270 L C -1.086 175.699 176.870 -0.142 0.000 0.996 270 L CA -0.069 54.667 54.840 -0.173 0.000 0.822 270 L CB 1.388 43.301 42.059 -0.243 0.000 1.256 270 L HN 0.660 nan 8.230 nan 0.000 0.413 271 C N 5.688 124.915 119.300 -0.122 0.000 2.329 271 C HA 0.755 5.218 4.460 0.004 0.000 0.329 271 C C -0.126 174.825 174.990 -0.065 0.000 1.275 271 C CA -0.878 58.090 59.018 -0.084 0.000 1.726 271 C CB 0.327 28.018 27.740 -0.082 0.000 2.291 271 C HN 0.733 nan 8.230 nan 0.000 0.514 272 L N 2.613 123.830 121.223 -0.011 0.000 2.371 272 L HA 0.922 5.264 4.340 0.004 0.000 0.262 272 L C 0.553 177.489 176.870 0.111 0.000 1.006 272 L CA 0.002 54.877 54.840 0.059 0.000 0.818 272 L CB 2.139 44.277 42.059 0.133 0.000 1.354 272 L HN 0.910 nan 8.230 nan 0.000 0.415 273 G N -0.289 108.605 108.800 0.157 0.000 2.619 273 G HA2 0.242 4.205 3.960 0.004 0.000 0.146 273 G HA3 0.242 4.205 3.960 0.004 0.000 0.146 273 G C -0.351 174.631 174.900 0.137 0.000 1.192 273 G CA -0.058 45.116 45.100 0.123 0.000 1.063 273 G HN 0.510 nan 8.290 nan 0.000 0.538 274 K N -0.765 119.691 120.400 0.093 0.000 3.999 274 K HA -0.401 3.921 4.320 0.004 0.000 0.269 274 K C 2.230 178.883 176.600 0.089 0.000 0.686 274 K CA 2.640 58.992 56.287 0.108 0.000 1.053 274 K CB -1.348 31.213 32.500 0.102 0.000 0.744 274 K HN 0.971 nan 8.250 nan 0.000 0.793 275 A N 0.896 123.783 122.820 0.111 0.000 2.216 275 A HA -0.047 4.276 4.320 0.004 0.000 0.214 275 A C 1.837 179.303 177.584 -0.196 0.000 1.160 275 A CA 1.240 53.273 52.037 -0.007 0.000 0.725 275 A CB -0.308 18.712 19.000 0.034 0.000 0.784 275 A HN 0.404 nan 8.150 nan 0.000 0.472 276 L N 0.720 121.860 121.223 -0.139 0.000 2.021 276 L HA -0.183 4.159 4.340 0.004 0.000 0.215 276 L C 2.436 179.125 176.870 -0.301 0.000 1.074 276 L CA 2.934 57.549 54.840 -0.375 0.000 0.760 276 L CB -0.865 41.183 42.059 -0.017 0.000 0.889 276 L HN 0.524 nan 8.230 nan 0.000 0.433 277 T N -3.751 110.717 114.554 -0.144 0.000 3.107 277 T HA 0.377 4.730 4.350 0.004 0.000 0.249 277 T C 1.285 175.931 174.700 -0.090 0.000 1.096 277 T CA 0.235 62.274 62.100 -0.102 0.000 1.012 277 T CB -0.346 68.492 68.868 -0.049 0.000 0.977 277 T HN 0.716 nan 8.240 nan 0.000 0.527 278 G N 1.079 109.803 108.800 -0.126 0.000 2.176 278 G HA2 0.114 4.076 3.960 0.004 0.000 0.252 278 G HA3 0.114 4.076 3.960 0.004 0.000 0.252 278 G C 0.920 175.753 174.900 -0.113 0.000 1.024 278 G CA 0.089 45.127 45.100 -0.102 0.000 0.755 278 G HN 1.759 nan 8.290 nan 0.000 0.507 279 G N -1.477 107.274 108.800 -0.082 0.000 2.246 279 G HA2 0.004 3.966 3.960 0.004 0.000 0.273 279 G HA3 0.004 3.966 3.960 0.004 0.000 0.273 279 G C 1.150 176.040 174.900 -0.016 0.000 1.055 279 G CA 1.723 46.797 45.100 -0.043 0.000 0.851 279 G HN 2.184 nan 8.290 nan 0.000 0.500 280 T N -3.367 111.182 114.554 -0.007 0.000 3.034 280 T HA 0.564 4.916 4.350 0.004 0.000 0.248 280 T C 1.019 175.730 174.700 0.018 0.000 1.040 280 T CA 1.370 63.478 62.100 0.012 0.000 1.107 280 T CB 0.093 68.961 68.868 -0.000 0.000 0.932 280 T HN 1.550 nan 8.240 nan 0.000 0.474 281 M N -0.662 118.944 119.600 0.011 0.000 2.895 281 M HA 0.491 4.973 4.480 0.004 0.000 0.271 281 M C -1.229 175.077 176.300 0.009 0.000 1.174 281 M CA -0.968 54.335 55.300 0.006 0.000 0.816 281 M CB 1.547 34.137 32.600 -0.016 0.000 1.647 281 M HN -0.175 nan 8.290 nan 0.000 0.506 282 T N 1.410 115.967 114.554 0.005 0.000 2.869 282 T HA 0.697 5.049 4.350 0.004 0.000 0.295 282 T C -1.251 173.453 174.700 0.007 0.000 0.987 282 T CA -0.189 61.922 62.100 0.018 0.000 1.109 282 T CB 0.393 69.275 68.868 0.023 0.000 0.932 282 T HN 0.612 nan 8.240 nan 0.000 0.518 283 L N 4.078 125.316 121.223 0.024 0.000 2.612 283 L HA 0.695 5.037 4.340 0.004 0.000 0.256 283 L C -0.970 175.931 176.870 0.051 0.000 0.949 283 L CA -0.190 54.667 54.840 0.028 0.000 0.867 283 L CB 2.142 44.208 42.059 0.011 0.000 1.417 283 L HN 0.802 nan 8.230 nan 0.000 0.414 284 S N 2.335 118.073 115.700 0.064 0.000 2.661 284 S HA 1.050 5.523 4.470 0.004 0.000 0.285 284 S C -1.074 173.581 174.600 0.092 0.000 1.138 284 S CA -0.172 58.076 58.200 0.081 0.000 0.855 284 S CB 1.937 65.182 63.200 0.075 0.000 1.136 284 S HN 1.545 nan 8.310 nan 0.000 0.484 285 A N 0.701 123.580 122.820 0.098 0.000 2.488 285 A HA 0.772 5.094 4.320 0.004 0.000 0.298 285 A C -0.736 176.889 177.584 0.069 0.000 1.044 285 A CA -0.717 51.380 52.037 0.100 0.000 0.693 285 A CB 1.644 20.703 19.000 0.098 0.000 1.272 285 A HN 0.798 nan 8.150 nan 0.000 0.402 286 T N 2.737 117.343 114.554 0.086 0.000 2.815 286 T HA 0.548 4.900 4.350 0.004 0.000 0.289 286 T C -0.679 174.015 174.700 -0.009 0.000 1.000 286 T CA -0.109 61.994 62.100 0.004 0.000 0.958 286 T CB 0.331 69.174 68.868 -0.041 0.000 0.944 286 T HN 0.401 nan 8.240 nan 0.000 0.442 287 L N 2.649 123.833 121.223 -0.064 0.000 2.334 287 L HA 0.791 5.133 4.340 0.004 0.000 0.275 287 L C 0.720 177.517 176.870 -0.122 0.000 1.036 287 L CA -0.069 54.725 54.840 -0.077 0.000 0.807 287 L CB 1.909 43.910 42.059 -0.096 0.000 1.231 287 L HN 0.605 nan 8.230 nan 0.000 0.438 288 T N -0.686 113.796 114.554 -0.121 0.000 2.654 288 T HA 0.627 4.979 4.350 0.004 0.000 0.289 288 T C -0.468 174.156 174.700 -0.127 0.000 1.062 288 T CA -0.054 61.955 62.100 -0.153 0.000 1.041 288 T CB 1.367 70.112 68.868 -0.205 0.000 1.417 288 T HN 0.762 nan 8.240 nan 0.000 0.510 289 T N -0.407 114.062 114.554 -0.141 0.000 2.881 289 T HA 0.457 4.809 4.350 0.004 0.000 0.278 289 T C 1.189 175.834 174.700 -0.090 0.000 0.982 289 T CA -0.505 61.530 62.100 -0.109 0.000 0.989 289 T CB 1.162 69.960 68.868 -0.117 0.000 1.058 289 T HN 0.579 nan 8.240 nan 0.000 0.529 290 R N 0.386 120.849 120.500 -0.062 0.000 2.073 290 R HA -0.098 4.245 4.340 0.004 0.000 0.234 290 R C 2.360 178.638 176.300 -0.036 0.000 1.134 290 R CA 1.944 58.019 56.100 -0.042 0.000 0.952 290 R CB -0.733 29.550 30.300 -0.029 0.000 0.850 290 R HN 0.873 nan 8.270 nan 0.000 0.433 291 E N -0.274 119.903 120.200 -0.039 0.000 2.070 291 E HA -0.156 4.196 4.350 0.004 0.000 0.197 291 E C 1.767 178.377 176.600 0.017 0.000 1.004 291 E CA 2.040 58.434 56.400 -0.010 0.000 0.805 291 E CB -0.398 29.294 29.700 -0.015 0.000 0.744 291 E HN 0.187 nan 8.360 nan 0.000 0.451 292 V N 0.851 120.717 119.914 -0.079 0.000 2.307 292 V HA -0.230 3.892 4.120 0.004 0.000 0.245 292 V C 2.445 178.515 176.094 -0.039 0.000 1.045 292 V CA 1.924 64.161 62.300 -0.105 0.000 1.024 292 V CB -1.076 30.552 31.823 -0.325 0.000 0.651 292 V HN 0.485 nan 8.190 nan 0.000 0.449 293 A N -0.375 122.401 122.820 -0.073 0.000 1.877 293 A HA -0.241 4.081 4.320 0.004 0.000 0.216 293 A C 2.173 179.754 177.584 -0.005 0.000 1.186 293 A CA 1.933 53.939 52.037 -0.051 0.000 0.620 293 A CB -0.469 18.504 19.000 -0.045 0.000 0.822 293 A HN 0.639 nan 8.150 nan 0.000 0.443 294 E N -0.866 119.332 120.200 -0.003 0.000 2.072 294 E HA -0.123 4.229 4.350 0.004 0.000 0.191 294 E C 2.114 178.715 176.600 0.002 0.000 0.985 294 E CA 1.525 57.927 56.400 0.002 0.000 0.801 294 E CB -0.414 29.284 29.700 -0.004 0.000 0.750 294 E HN 0.584 nan 8.360 nan 0.000 0.452 295 T N 1.834 116.390 114.554 0.005 0.000 2.684 295 T HA -0.171 4.181 4.350 0.004 0.000 0.267 295 T C 2.018 176.700 174.700 -0.031 0.000 1.036 295 T CA 1.064 63.140 62.100 -0.040 0.000 1.148 295 T CB -0.260 68.559 68.868 -0.081 0.000 0.863 295 T HN 0.111 nan 8.240 nan 0.000 0.436 296 I N 0.977 121.559 120.570 0.020 0.000 2.163 296 I HA -0.197 3.976 4.170 0.004 0.000 0.243 296 I C 2.670 178.820 176.117 0.055 0.000 1.085 296 I CA 1.117 62.447 61.300 0.049 0.000 1.347 296 I CB -0.332 37.722 38.000 0.091 0.000 1.044 296 I HN 0.184 nan 8.210 nan 0.000 0.408 297 S N 0.622 116.353 115.700 0.052 0.000 2.402 297 S HA -0.096 4.376 4.470 0.004 0.000 0.229 297 S C 1.574 176.189 174.600 0.026 0.000 1.021 297 S CA 0.983 59.214 58.200 0.051 0.000 0.974 297 S CB -0.265 62.964 63.200 0.048 0.000 0.800 297 S HN 0.435 nan 8.310 nan 0.000 0.484 298 N N 1.189 119.894 118.700 0.007 0.000 2.467 298 N HA 0.102 4.844 4.740 0.004 0.000 0.184 298 N C 0.858 176.362 175.510 -0.010 0.000 1.106 298 N CA 0.206 53.253 53.050 -0.005 0.000 0.892 298 N CB -0.182 38.295 38.487 -0.016 0.000 0.969 298 N HN 0.373 nan 8.380 nan 0.000 0.454 299 G N 0.162 108.957 108.800 -0.009 0.000 2.535 299 G HA2 0.095 4.057 3.960 0.004 0.000 0.282 299 G HA3 0.095 4.057 3.960 0.004 0.000 0.282 299 G C 0.794 175.695 174.900 0.002 0.000 1.350 299 G CA -0.339 44.754 45.100 -0.011 0.000 1.039 299 G HN 0.036 nan 8.290 nan 0.000 0.509 300 E N -0.512 119.690 120.200 0.003 0.000 2.065 300 E HA -0.260 4.092 4.350 0.004 0.000 0.201 300 E C 2.839 179.446 176.600 0.012 0.000 1.016 300 E CA 1.502 57.906 56.400 0.006 0.000 0.818 300 E CB -0.215 29.489 29.700 0.007 0.000 0.749 300 E HN 0.452 nan 8.360 nan 0.000 0.453 301 A N 0.020 122.852 122.820 0.019 0.000 1.940 301 A HA -0.115 4.208 4.320 0.004 0.000 0.219 301 A C 2.145 179.743 177.584 0.024 0.000 1.176 301 A CA 1.930 53.980 52.037 0.022 0.000 0.631 301 A CB -0.892 18.128 19.000 0.032 0.000 0.814 301 A HN 0.480 nan 8.150 nan 0.000 0.446 302 G N -2.641 106.176 108.800 0.029 0.000 2.179 302 G HA2 -0.268 3.694 3.960 0.004 0.000 0.260 302 G HA3 -0.268 3.694 3.960 0.004 0.000 0.260 302 G C 0.583 175.511 174.900 0.047 0.000 0.977 302 G CA 0.871 45.988 45.100 0.029 0.000 0.641 302 G HN 2.247 nan 8.290 nan 0.000 0.533 303 C N -3.016 116.325 119.300 0.068 0.000 3.275 303 C HA 0.685 5.147 4.460 0.004 0.000 0.340 303 C C -0.290 174.799 174.990 0.166 0.000 1.366 303 C CA -1.477 57.607 59.018 0.110 0.000 1.227 303 C CB 0.691 28.484 27.740 0.088 0.000 1.512 303 C HN 1.269 nan 8.230 nan 0.000 0.461 304 F N 3.223 123.212 119.950 0.065 0.000 2.438 304 F HA 0.558 5.087 4.527 0.004 0.000 0.360 304 F C 0.700 176.556 175.800 0.093 0.000 1.118 304 F CA -1.114 56.923 58.000 0.062 0.000 1.164 304 F CB 0.772 39.810 39.000 0.063 0.000 1.131 304 F HN 0.577 nan 8.300 nan 0.000 0.527 305 M N 7.264 126.603 119.600 -0.434 0.000 3.596 305 M HA 0.096 4.578 4.480 0.004 0.000 0.212 305 M C -0.953 175.069 176.300 -0.463 0.000 1.519 305 M CA 0.559 55.659 55.300 -0.333 0.000 1.670 305 M CB -1.913 30.580 32.600 -0.178 0.000 1.113 305 M HN 0.663 nan 8.290 nan 0.000 0.565 306 H N -1.166 117.566 119.070 -0.562 0.000 3.046 306 H HA 0.647 5.205 4.556 0.004 0.000 0.363 306 H C -0.485 174.925 175.328 0.137 0.000 1.203 306 H CA -0.329 55.514 56.048 -0.342 0.000 1.169 306 H CB 1.879 31.212 29.762 -0.715 0.000 1.851 306 H HN 0.502 nan 8.280 nan 0.000 0.546 307 G N 3.968 112.905 108.800 0.228 0.000 2.902 307 G HA2 0.192 4.154 3.960 0.004 0.000 0.293 307 G HA3 0.192 4.154 3.960 0.004 0.000 0.293 307 G C -3.130 171.877 174.900 0.178 0.000 3.296 307 G CA -0.902 44.384 45.100 0.311 0.000 0.614 307 G HN 0.401 nan 8.290 nan 0.000 0.354 308 P HA 0.301 nan 4.420 nan 0.000 0.271 308 P C 1.395 178.775 177.300 0.133 0.000 1.216 308 P CA -0.172 63.042 63.100 0.191 0.000 0.776 308 P CB 1.071 32.934 31.700 0.272 0.000 0.881 309 T N 1.028 115.626 114.554 0.073 0.000 2.653 309 T HA -0.184 4.169 4.350 0.004 0.000 0.268 309 T C 0.836 175.456 174.700 -0.133 0.000 1.035 309 T CA 1.714 63.774 62.100 -0.067 0.000 1.154 309 T CB -0.674 68.094 68.868 -0.166 0.000 0.862 309 T HN 0.368 nan 8.240 nan 0.000 0.441 310 F N 0.477 120.450 119.950 0.039 0.000 2.645 310 F HA 0.438 4.968 4.527 0.004 0.000 0.300 310 F C 0.747 176.595 175.800 0.081 0.000 1.115 310 F CA -0.657 57.332 58.000 -0.019 0.000 1.355 310 F CB -0.580 38.294 39.000 -0.209 0.000 1.026 310 F HN 0.101 nan 8.300 nan 0.000 0.536 311 M N 0.457 120.174 119.600 0.196 0.000 2.243 311 M HA 0.124 4.607 4.480 0.004 0.000 0.365 311 M C 1.363 177.559 176.300 -0.173 0.000 1.327 311 M CA 1.564 56.887 55.300 0.037 0.000 0.918 311 M CB 0.054 32.683 32.600 0.048 0.000 1.894 311 M HN 0.524 nan 8.290 nan 0.000 0.473 312 G N 3.346 111.935 108.800 -0.353 0.000 2.155 312 G HA2 -0.349 3.614 3.960 0.004 0.000 0.257 312 G HA3 -0.349 3.614 3.960 0.004 0.000 0.257 312 G C 0.009 174.839 174.900 -0.116 0.000 0.983 312 G CA 0.518 45.250 45.100 -0.614 0.000 0.676 312 G HN 1.036 nan 8.290 nan 0.000 0.528 313 N N 1.055 119.811 118.700 0.092 0.000 2.047 313 N HA 0.118 4.861 4.740 0.004 0.000 0.292 313 N C -0.246 175.325 175.510 0.102 0.000 1.356 313 N CA 0.004 53.212 53.050 0.262 0.000 0.836 313 N CB 0.574 39.174 38.487 0.187 0.000 1.113 313 N HN 0.174 nan 8.380 nan 0.000 0.495 314 P HA -0.209 nan 4.420 nan 0.000 0.216 314 P C 1.419 178.697 177.300 -0.037 0.000 1.154 314 P CA 0.786 63.786 63.100 -0.166 0.000 0.865 314 P CB 0.114 31.569 31.700 -0.408 0.000 0.789 315 L N -0.470 120.751 121.223 -0.003 0.000 2.027 315 L HA -0.052 4.291 4.340 0.004 0.000 0.206 315 L C 2.247 179.114 176.870 -0.004 0.000 1.074 315 L CA 2.159 56.997 54.840 -0.003 0.000 0.745 315 L CB -1.554 40.507 42.059 0.004 0.000 0.898 315 L HN -0.118 nan 8.230 nan 0.000 0.433 316 A N -1.297 121.523 122.820 -0.001 0.000 1.933 316 A HA -0.226 4.096 4.320 0.004 0.000 0.218 316 A C 2.373 179.953 177.584 -0.007 0.000 1.175 316 A CA 1.806 53.837 52.037 -0.009 0.000 0.628 316 A CB -1.495 17.498 19.000 -0.011 0.000 0.814 316 A HN 0.650 nan 8.150 nan 0.000 0.444 317 C N -1.164 118.141 119.300 0.009 0.000 2.446 317 C HA 0.092 4.554 4.460 0.004 0.000 0.277 317 C C 3.316 178.311 174.990 0.009 0.000 1.275 317 C CA 0.674 59.702 59.018 0.016 0.000 1.727 317 C CB -1.292 26.486 27.740 0.063 0.000 2.010 317 C HN 0.710 nan 8.230 nan 0.000 0.486 318 A N 0.671 123.496 122.820 0.008 0.000 1.877 318 A HA 0.024 4.347 4.320 0.004 0.000 0.216 318 A C 2.376 179.950 177.584 -0.018 0.000 1.186 318 A CA 2.168 54.205 52.037 0.000 0.000 0.620 318 A CB -0.975 18.024 19.000 -0.002 0.000 0.822 318 A HN 0.568 nan 8.150 nan 0.000 0.443 319 A N -0.070 122.736 122.820 -0.023 0.000 1.883 319 A HA 0.103 4.425 4.320 0.004 0.000 0.217 319 A C 2.546 180.093 177.584 -0.062 0.000 1.186 319 A CA 2.381 54.395 52.037 -0.038 0.000 0.624 319 A CB -1.162 17.819 19.000 -0.031 0.000 0.822 319 A HN 1.137 nan 8.150 nan 0.000 0.444 320 A N 0.060 122.843 122.820 -0.062 0.000 1.908 320 A HA -0.262 4.060 4.320 0.004 0.000 0.218 320 A C 1.928 179.458 177.584 -0.091 0.000 1.181 320 A CA 1.928 53.907 52.037 -0.096 0.000 0.627 320 A CB -0.977 17.974 19.000 -0.081 0.000 0.818 320 A HN 0.728 nan 8.150 nan 0.000 0.445 321 N N -0.191 118.479 118.700 -0.050 0.000 2.104 321 N HA -0.108 4.634 4.740 0.004 0.000 0.190 321 N C 1.929 177.409 175.510 -0.051 0.000 1.024 321 N CA 1.145 54.175 53.050 -0.033 0.000 0.853 321 N CB -0.240 38.243 38.487 -0.006 0.000 1.008 321 N HN 0.514 nan 8.380 nan 0.000 0.424 322 A N 0.044 122.826 122.820 -0.065 0.000 1.930 322 A HA -0.118 4.204 4.320 0.004 0.000 0.217 322 A C 2.239 179.720 177.584 -0.173 0.000 1.175 322 A CA 1.547 53.527 52.037 -0.094 0.000 0.627 322 A CB -0.721 18.230 19.000 -0.082 0.000 0.815 322 A HN 0.286 nan 8.150 nan 0.000 0.443 323 S N -0.348 115.250 115.700 -0.171 0.000 2.368 323 S HA -0.085 4.387 4.470 0.004 0.000 0.225 323 S C 1.913 176.441 174.600 -0.119 0.000 1.030 323 S CA 1.418 59.509 58.200 -0.180 0.000 0.999 323 S CB -0.470 62.697 63.200 -0.056 0.000 0.844 323 S HN 0.493 nan 8.310 nan 0.000 0.459 324 L N 1.041 122.193 121.223 -0.117 0.000 2.141 324 L HA 0.002 4.344 4.340 0.004 0.000 0.209 324 L C 2.910 179.772 176.870 -0.014 0.000 1.094 324 L CA 1.005 55.803 54.840 -0.070 0.000 0.763 324 L CB -0.646 41.380 42.059 -0.054 0.000 0.908 324 L HN 0.408 nan 8.230 nan 0.000 0.437 325 A N 0.463 123.260 122.820 -0.038 0.000 1.930 325 A HA -0.147 4.175 4.320 0.004 0.000 0.217 325 A C 2.205 179.784 177.584 -0.009 0.000 1.175 325 A CA 1.318 53.347 52.037 -0.013 0.000 0.627 325 A CB -0.535 18.449 19.000 -0.026 0.000 0.815 325 A HN 0.347 nan 8.150 nan 0.000 0.443 326 I N -0.258 120.263 120.570 -0.081 0.000 2.179 326 I HA -0.257 3.915 4.170 0.004 0.000 0.242 326 I C 2.288 178.473 176.117 0.115 0.000 1.088 326 I CA 1.134 62.398 61.300 -0.060 0.000 1.357 326 I CB -0.395 37.408 38.000 -0.329 0.000 1.051 326 I HN 0.266 nan 8.210 nan 0.000 0.409 327 L N 0.361 121.683 121.223 0.165 0.000 2.127 327 L HA -0.214 4.128 4.340 0.004 0.000 0.211 327 L C 2.442 179.519 176.870 0.345 0.000 1.089 327 L CA 1.355 56.384 54.840 0.316 0.000 0.757 327 L CB -0.694 41.425 42.059 0.100 0.000 0.899 327 L HN 0.318 nan 8.230 nan 0.000 0.434 328 E N 0.028 120.343 120.200 0.192 0.000 2.160 328 E HA -0.222 4.130 4.350 0.004 0.000 0.195 328 E C 2.236 178.922 176.600 0.144 0.000 0.991 328 E CA 1.494 57.991 56.400 0.162 0.000 0.810 328 E CB -0.072 29.687 29.700 0.099 0.000 0.742 328 E HN 0.549 nan 8.360 nan 0.000 0.466 329 S N -0.545 115.236 115.700 0.135 0.000 2.469 329 S HA -0.077 4.395 4.470 0.004 0.000 0.238 329 S C 1.805 176.439 174.600 0.056 0.000 0.998 329 S CA 0.944 59.197 58.200 0.088 0.000 0.957 329 S CB -0.205 63.045 63.200 0.083 0.000 0.764 329 S HN 0.432 nan 8.310 nan 0.000 0.514 330 G N 1.120 109.971 108.800 0.085 0.000 2.212 330 G HA2 -0.332 3.631 3.960 0.004 0.000 0.266 330 G HA3 -0.332 3.631 3.960 0.004 0.000 0.266 330 G C 0.468 175.179 174.900 -0.315 0.000 0.978 330 G CA 0.560 45.574 45.100 -0.143 0.000 0.632 330 G HN 0.544 nan 8.290 nan 0.000 0.537 331 D N 0.176 120.526 120.400 -0.083 0.000 2.158 331 D HA -0.125 4.518 4.640 0.004 0.000 0.197 331 D C 2.300 178.559 176.300 -0.068 0.000 0.995 331 D CA 1.589 55.559 54.000 -0.050 0.000 0.846 331 D CB -0.520 40.322 40.800 0.072 0.000 0.941 331 D HN 0.859 nan 8.370 nan 0.000 0.456 332 W N 1.425 122.754 121.300 0.048 0.000 2.331 332 W HA -0.214 4.448 4.660 0.004 0.000 0.291 332 W C 1.432 177.881 176.519 -0.117 0.000 1.214 332 W CA 0.631 57.971 57.345 -0.008 0.000 1.228 332 W CB -1.062 28.427 29.460 0.049 0.000 1.135 332 W HN 0.106 nan 8.180 nan 0.000 0.537 333 Q N 0.703 119.900 119.800 -1.006 0.000 2.096 333 Q HA -0.277 4.066 4.340 0.004 0.000 0.204 333 Q C 2.341 178.121 176.000 -0.367 0.000 0.982 333 Q CA 2.305 57.545 55.803 -0.938 0.000 0.850 333 Q CB -0.348 27.775 28.738 -1.024 0.000 0.901 333 Q HN 0.254 nan 8.270 nan 0.000 0.422 334 Q N 0.411 120.053 119.800 -0.263 0.000 2.269 334 Q HA -0.077 4.265 4.340 0.004 0.000 0.201 334 Q C 1.694 177.649 176.000 -0.075 0.000 0.946 334 Q CA 1.165 56.885 55.803 -0.139 0.000 0.877 334 Q CB 0.278 28.951 28.738 -0.108 0.000 0.963 334 Q HN 0.328 nan 8.270 nan 0.000 0.472 335 Q N -1.080 118.688 119.800 -0.053 0.000 2.079 335 Q HA -0.103 4.239 4.340 0.004 0.000 0.200 335 Q C 1.980 177.969 176.000 -0.017 0.000 0.974 335 Q CA 1.676 57.484 55.803 0.007 0.000 0.840 335 Q CB 0.099 28.889 28.738 0.086 0.000 0.898 335 Q HN 0.239 nan 8.270 nan 0.000 0.430 336 V N 0.808 120.678 119.914 -0.073 0.000 2.323 336 V HA -0.243 3.880 4.120 0.004 0.000 0.244 336 V C 2.269 178.348 176.094 -0.025 0.000 1.041 336 V CA 1.699 63.950 62.300 -0.082 0.000 1.025 336 V CB -1.002 30.761 31.823 -0.100 0.000 0.656 336 V HN 0.392 nan 8.190 nan 0.000 0.451 337 A N 0.169 122.966 122.820 -0.037 0.000 1.892 337 A HA -0.305 4.017 4.320 0.004 0.000 0.218 337 A C 1.978 179.555 177.584 -0.011 0.000 1.188 337 A CA 2.317 54.340 52.037 -0.024 0.000 0.631 337 A CB -0.745 18.226 19.000 -0.049 0.000 0.822 337 A HN 0.550 nan 8.150 nan 0.000 0.447 338 D N -0.168 120.224 120.400 -0.013 0.000 2.144 338 D HA -0.101 4.542 4.640 0.004 0.000 0.199 338 D C 1.825 178.133 176.300 0.013 0.000 0.984 338 D CA 1.088 55.089 54.000 0.000 0.000 0.834 338 D CB -0.349 40.453 40.800 0.003 0.000 0.955 338 D HN 0.555 nan 8.370 nan 0.000 0.465 339 I N 0.792 121.374 120.570 0.019 0.000 2.315 339 I HA -0.214 3.958 4.170 0.004 0.000 0.248 339 I C 2.435 178.570 176.117 0.030 0.000 1.117 339 I CA 0.887 62.206 61.300 0.032 0.000 1.404 339 I CB -0.134 37.895 38.000 0.048 0.000 1.071 339 I HN 0.004 nan 8.210 nan 0.000 0.419 340 E N 0.987 121.203 120.200 0.026 0.000 2.023 340 E HA -0.212 4.140 4.350 0.004 0.000 0.196 340 E C 2.324 178.937 176.600 0.022 0.000 1.003 340 E CA 1.920 58.337 56.400 0.028 0.000 0.809 340 E CB 0.065 29.781 29.700 0.027 0.000 0.755 340 E HN 0.208 nan 8.360 nan 0.000 0.449 341 V N 1.081 121.005 119.914 0.016 0.000 2.282 341 V HA -0.326 3.796 4.120 0.004 0.000 0.249 341 V C 2.615 178.718 176.094 0.016 0.000 1.057 341 V CA 2.421 64.730 62.300 0.014 0.000 1.032 341 V CB -0.702 31.126 31.823 0.009 0.000 0.645 341 V HN 0.422 nan 8.190 nan 0.000 0.447 342 Q N -0.729 119.081 119.800 0.017 0.000 2.119 342 Q HA -0.160 4.182 4.340 0.004 0.000 0.201 342 Q C 2.233 178.245 176.000 0.020 0.000 0.972 342 Q CA 1.526 57.340 55.803 0.018 0.000 0.847 342 Q CB -0.092 28.658 28.738 0.019 0.000 0.903 342 Q HN 0.628 nan 8.270 nan 0.000 0.433 343 L N -0.045 121.191 121.223 0.022 0.000 2.027 343 L HA -0.185 4.157 4.340 0.004 0.000 0.206 343 L C 2.662 179.545 176.870 0.022 0.000 1.074 343 L CA 1.245 56.099 54.840 0.023 0.000 0.745 343 L CB -0.373 41.703 42.059 0.028 0.000 0.898 343 L HN 0.177 nan 8.230 nan 0.000 0.433 344 R N 0.079 120.592 120.500 0.021 0.000 2.080 344 R HA -0.210 4.132 4.340 0.004 0.000 0.236 344 R C 2.190 178.501 176.300 0.018 0.000 1.137 344 R CA 1.816 57.927 56.100 0.020 0.000 0.943 344 R CB -0.510 29.801 30.300 0.018 0.000 0.846 344 R HN 0.453 nan 8.270 nan 0.000 0.431 345 E N 0.648 120.858 120.200 0.017 0.000 2.058 345 E HA -0.227 4.125 4.350 0.004 0.000 0.194 345 E C 2.148 178.759 176.600 0.018 0.000 0.997 345 E CA 1.337 57.747 56.400 0.016 0.000 0.801 345 E CB 0.013 29.722 29.700 0.015 0.000 0.746 345 E HN 0.434 nan 8.360 nan 0.000 0.450 346 Q N -0.212 119.600 119.800 0.019 0.000 2.331 346 Q HA 0.032 4.374 4.340 0.004 0.000 0.203 346 Q C 2.123 178.138 176.000 0.026 0.000 0.944 346 Q CA 0.420 56.236 55.803 0.022 0.000 0.892 346 Q CB 0.313 29.064 28.738 0.021 0.000 0.983 346 Q HN 0.290 nan 8.270 nan 0.000 0.482 347 L N -0.112 121.125 121.223 0.025 0.000 2.307 347 L HA 0.054 4.397 4.340 0.004 0.000 0.211 347 L C 2.400 179.285 176.870 0.025 0.000 1.099 347 L CA 0.297 55.154 54.840 0.028 0.000 0.816 347 L CB -0.437 41.639 42.059 0.028 0.000 0.952 347 L HN 0.153 nan 8.230 nan 0.000 0.455 348 A N 1.496 124.329 122.820 0.020 0.000 1.894 348 A HA -0.235 4.087 4.320 0.004 0.000 0.220 348 A C -0.068 177.524 177.584 0.015 0.000 1.237 348 A CA 2.346 54.393 52.037 0.016 0.000 0.660 348 A CB -2.087 16.921 19.000 0.014 0.000 0.835 348 A HN 0.257 nan 8.150 nan 0.000 0.461 349 P HA -0.222 nan 4.420 nan 0.000 0.218 349 P C 1.582 178.890 177.300 0.014 0.000 1.150 349 P CA 2.073 65.182 63.100 0.016 0.000 0.841 349 P CB -0.221 31.492 31.700 0.022 0.000 0.784 350 A N -0.349 122.484 122.820 0.021 0.000 2.076 350 A HA -0.231 4.091 4.320 0.004 0.000 0.220 350 A C 2.165 179.750 177.584 0.001 0.000 1.160 350 A CA 1.357 53.406 52.037 0.020 0.000 0.653 350 A CB -1.011 18.010 19.000 0.034 0.000 0.801 350 A HN 0.147 nan 8.150 nan 0.000 0.455 351 R N -0.286 120.214 120.500 0.000 0.000 2.193 351 R HA -0.108 4.235 4.340 0.004 0.000 0.229 351 R C 0.541 176.829 176.300 -0.020 0.000 1.110 351 R CA 1.310 57.405 56.100 -0.010 0.000 0.988 351 R CB -0.192 30.105 30.300 -0.004 0.000 0.871 351 R HN 0.478 nan 8.270 nan 0.000 0.458 352 D N 0.083 120.473 120.400 -0.017 0.000 2.350 352 D HA 0.087 4.729 4.640 0.004 0.000 0.213 352 D C 0.227 176.506 176.300 -0.034 0.000 1.031 352 D CA 0.189 54.176 54.000 -0.023 0.000 0.861 352 D CB 0.275 41.067 40.800 -0.014 0.000 0.926 352 D HN 0.147 nan 8.370 nan 0.000 0.520 353 A N 1.603 124.400 122.820 -0.038 0.000 2.407 353 A HA 0.095 4.418 4.320 0.004 0.000 0.248 353 A C 1.588 179.115 177.584 -0.095 0.000 1.082 353 A CA -0.304 51.699 52.037 -0.057 0.000 0.785 353 A CB 0.566 19.539 19.000 -0.046 0.000 1.020 353 A HN 0.122 nan 8.150 nan 0.000 0.489 354 E N 2.062 122.191 120.200 -0.119 0.000 2.077 354 E HA -0.200 4.152 4.350 0.004 0.000 0.193 354 E C 0.841 177.299 176.600 -0.236 0.000 0.989 354 E CA 1.330 57.638 56.400 -0.154 0.000 0.800 354 E CB -0.248 29.364 29.700 -0.146 0.000 0.746 354 E HN 0.609 nan 8.360 nan 0.000 0.452 355 M N 1.334 120.746 119.600 -0.313 0.000 2.686 355 M HA 0.117 4.600 4.480 0.004 0.000 0.246 355 M C 0.288 176.364 176.300 -0.372 0.000 1.096 355 M CA 0.242 55.236 55.300 -0.510 0.000 1.076 355 M CB -0.032 32.099 32.600 -0.781 0.000 1.504 355 M HN -0.116 nan 8.290 nan 0.000 0.524 356 V N 0.374 120.161 119.914 -0.211 0.000 2.394 356 V HA 0.423 4.546 4.120 0.004 0.000 0.282 356 V C 1.081 177.115 176.094 -0.099 0.000 1.031 356 V CA -0.280 61.948 62.300 -0.121 0.000 0.881 356 V CB 1.242 33.028 31.823 -0.062 0.000 0.982 356 V HN 0.329 nan 8.190 nan 0.000 0.451 357 A N 3.791 126.565 122.820 -0.077 0.000 1.924 357 A HA 0.251 4.573 4.320 0.004 0.000 0.211 357 A C 0.625 178.189 177.584 -0.034 0.000 1.198 357 A CA 0.924 52.928 52.037 -0.057 0.000 0.657 357 A CB 0.068 19.040 19.000 -0.047 0.000 0.852 357 A HN 0.775 nan 8.150 nan 0.000 0.454 358 D N -3.157 117.230 120.400 -0.023 0.000 2.623 358 D HA 0.494 5.137 4.640 0.004 0.000 0.241 358 D C -1.835 174.465 176.300 -0.000 0.000 1.241 358 D CA -0.171 53.823 54.000 -0.010 0.000 0.788 358 D CB 2.066 42.862 40.800 -0.007 0.000 1.413 358 D HN -0.021 nan 8.370 nan 0.000 0.429 359 V N 2.748 122.666 119.914 0.006 0.000 2.524 359 V HA 0.591 4.713 4.120 0.004 0.000 0.297 359 V C -0.718 175.385 176.094 0.016 0.000 1.035 359 V CA -0.623 61.686 62.300 0.014 0.000 0.867 359 V CB 1.513 33.345 31.823 0.016 0.000 1.004 359 V HN 0.602 nan 8.190 nan 0.000 0.426 360 R N 3.774 124.285 120.500 0.019 0.000 2.744 360 R HA 0.966 5.309 4.340 0.004 0.000 0.279 360 R C -1.910 174.404 176.300 0.025 0.000 0.977 360 R CA -0.886 55.226 56.100 0.019 0.000 0.906 360 R CB 2.520 32.830 30.300 0.016 0.000 1.197 360 R HN 0.298 nan 8.270 nan 0.000 0.463 361 V N 2.453 122.381 119.914 0.022 0.000 2.808 361 V HA 0.530 4.652 4.120 0.004 0.000 0.308 361 V C -1.480 174.627 176.094 0.022 0.000 1.099 361 V CA -0.857 61.460 62.300 0.028 0.000 0.920 361 V CB 2.067 33.907 31.823 0.028 0.000 1.014 361 V HN 0.686 nan 8.190 nan 0.000 0.425 362 L N 3.983 125.226 121.223 0.033 0.000 2.516 362 L HA 0.863 5.206 4.340 0.004 0.000 0.267 362 L C 0.432 177.342 176.870 0.066 0.000 0.957 362 L CA 1.298 56.154 54.840 0.027 0.000 0.860 362 L CB 1.452 43.507 42.059 -0.007 0.000 1.265 362 L HN 1.082 nan 8.230 nan 0.000 0.403 363 G N 3.945 112.788 108.800 0.072 0.000 2.634 363 G HA2 -0.209 3.754 3.960 0.004 0.000 0.309 363 G HA3 -0.209 3.754 3.960 0.004 0.000 0.309 363 G C 0.528 175.474 174.900 0.076 0.000 1.265 363 G CA 0.550 45.701 45.100 0.084 0.000 0.998 363 G HN 1.847 nan 8.290 nan 0.000 0.551 364 A N -0.027 122.851 122.820 0.098 0.000 2.988 364 A HA 0.667 4.989 4.320 0.004 0.000 0.288 364 A C 0.319 177.983 177.584 0.133 0.000 1.385 364 A CA 0.132 52.239 52.037 0.118 0.000 1.001 364 A CB -0.539 18.562 19.000 0.169 0.000 1.071 364 A HN 0.748 nan 8.150 nan 0.000 0.608 365 I N -0.016 120.621 120.570 0.111 0.000 2.478 365 I HA 0.552 4.725 4.170 0.004 0.000 0.287 365 I C 0.305 176.466 176.117 0.074 0.000 1.042 365 I CA -0.558 60.800 61.300 0.097 0.000 1.067 365 I CB 2.326 40.401 38.000 0.125 0.000 1.233 365 I HN 0.239 nan 8.210 nan 0.000 0.431 366 G N 5.319 114.161 108.800 0.070 0.000 2.590 366 G HA2 0.698 4.660 3.960 0.004 0.000 0.310 366 G HA3 0.698 4.660 3.960 0.004 0.000 0.310 366 G C -1.325 173.622 174.900 0.079 0.000 1.347 366 G CA -0.484 44.650 45.100 0.057 0.000 0.963 366 G HN 0.316 nan 8.290 nan 0.000 0.494 367 V N 1.942 121.895 119.914 0.066 0.000 2.656 367 V HA 0.528 4.651 4.120 0.004 0.000 0.307 367 V C -0.457 175.668 176.094 0.053 0.000 1.051 367 V CA -0.770 61.576 62.300 0.078 0.000 0.893 367 V CB 2.085 33.931 31.823 0.038 0.000 0.999 367 V HN 0.555 nan 8.190 nan 0.000 0.426 368 V N 3.758 123.710 119.914 0.063 0.000 2.304 368 V HA 0.352 4.474 4.120 0.004 0.000 0.278 368 V C 0.074 176.193 176.094 0.041 0.000 1.018 368 V CA -0.496 61.834 62.300 0.051 0.000 0.814 368 V CB 1.346 33.212 31.823 0.072 0.000 1.021 368 V HN 0.967 nan 8.190 nan 0.000 0.440 369 E N 3.620 123.827 120.200 0.012 0.000 2.289 369 E HA 0.432 4.784 4.350 0.004 0.000 0.278 369 E C 0.175 176.773 176.600 -0.004 0.000 1.032 369 E CA -0.345 56.051 56.400 -0.007 0.000 0.854 369 E CB 1.073 30.759 29.700 -0.024 0.000 1.046 369 E HN 0.793 nan 8.360 nan 0.000 0.409 370 T N 0.536 115.099 114.554 0.015 0.000 2.944 370 T HA 0.211 4.563 4.350 0.004 0.000 0.284 370 T C 1.217 175.888 174.700 -0.049 0.000 1.010 370 T CA -0.114 61.974 62.100 -0.020 0.000 1.025 370 T CB 1.506 70.439 68.868 0.110 0.000 1.079 370 T HN 0.527 nan 8.240 nan 0.000 0.516 371 T N -1.999 112.457 114.554 -0.165 0.000 3.014 371 T HA 0.087 4.440 4.350 0.004 0.000 0.263 371 T C 0.435 175.208 174.700 0.121 0.000 1.078 371 T CA 0.611 62.639 62.100 -0.118 0.000 1.135 371 T CB -0.392 68.280 68.868 -0.326 0.000 0.895 371 T HN 0.720 nan 8.240 nan 0.000 0.480 372 H N 1.272 120.313 119.070 -0.049 0.000 2.771 372 H HA 0.619 5.178 4.556 0.004 0.000 0.367 372 H C -2.825 172.608 175.328 0.175 0.000 1.172 372 H CA -3.033 53.042 56.048 0.045 0.000 1.186 372 H CB 1.081 30.867 29.762 0.040 0.000 1.790 372 H HN 0.062 nan 8.280 nan 0.000 0.556 373 P HA 0.069 nan 4.420 nan 0.000 0.274 373 P C -0.302 177.146 177.300 0.246 0.000 1.237 373 P CA -0.567 62.658 63.100 0.208 0.000 0.793 373 P CB 0.643 32.413 31.700 0.117 0.000 0.977 374 V N -0.893 119.084 119.914 0.104 0.000 2.834 374 V HA 0.393 4.515 4.120 0.004 0.000 0.301 374 V C 0.309 176.367 176.094 -0.061 0.000 1.066 374 V CA -0.654 61.587 62.300 -0.098 0.000 1.052 374 V CB 0.706 32.442 31.823 -0.144 0.000 1.021 374 V HN 0.441 nan 8.190 nan 0.000 0.480 375 N N 4.439 123.064 118.700 -0.125 0.000 2.437 375 N HA 0.199 4.942 4.740 0.004 0.000 0.243 375 N C 0.656 176.135 175.510 -0.051 0.000 1.041 375 N CA -0.417 52.608 53.050 -0.042 0.000 0.940 375 N CB 1.111 39.591 38.487 -0.013 0.000 1.133 375 N HN 0.800 nan 8.380 nan 0.000 0.506 376 M N 2.822 122.419 119.600 -0.006 0.000 2.084 376 M HA -0.156 4.326 4.480 0.004 0.000 0.259 376 M C 1.875 178.180 176.300 0.008 0.000 1.072 376 M CA 1.715 57.020 55.300 0.008 0.000 1.107 376 M CB -1.597 31.036 32.600 0.055 0.000 1.299 376 M HN 0.691 nan 8.290 nan 0.000 0.413 377 A N -0.007 122.833 122.820 0.032 0.000 1.884 377 A HA -0.165 4.157 4.320 0.004 0.000 0.219 377 A C 2.380 179.982 177.584 0.031 0.000 1.197 377 A CA 3.014 55.081 52.037 0.050 0.000 0.637 377 A CB -1.257 17.768 19.000 0.043 0.000 0.827 377 A HN 0.581 nan 8.150 nan 0.000 0.450 378 A N -0.880 121.946 122.820 0.011 0.000 1.865 378 A HA -0.057 4.266 4.320 0.004 0.000 0.217 378 A C 2.176 179.641 177.584 -0.198 0.000 1.191 378 A CA 1.896 53.940 52.037 0.011 0.000 0.623 378 A CB -0.696 18.375 19.000 0.118 0.000 0.826 378 A HN 0.768 nan 8.150 nan 0.000 0.444 379 L N -0.568 120.458 121.223 -0.329 0.000 2.093 379 L HA -0.114 4.228 4.340 0.004 0.000 0.208 379 L C 2.462 179.016 176.870 -0.528 0.000 1.085 379 L CA 2.545 56.956 54.840 -0.716 0.000 0.755 379 L CB -0.831 40.882 42.059 -0.577 0.000 0.904 379 L HN 0.534 nan 8.230 nan 0.000 0.435 380 Q N -0.127 119.557 119.800 -0.193 0.000 2.096 380 Q HA -0.274 4.069 4.340 0.004 0.000 0.204 380 Q C 2.344 178.309 176.000 -0.057 0.000 0.982 380 Q CA 2.282 58.046 55.803 -0.066 0.000 0.850 380 Q CB -0.212 28.552 28.738 0.043 0.000 0.901 380 Q HN 0.537 nan 8.270 nan 0.000 0.422 381 K N -0.829 119.572 120.400 0.001 0.000 2.026 381 K HA -0.192 4.130 4.320 0.004 0.000 0.208 381 K C 1.941 178.500 176.600 -0.069 0.000 1.048 381 K CA 1.395 57.715 56.287 0.055 0.000 0.929 381 K CB -0.433 32.135 32.500 0.113 0.000 0.713 381 K HN 0.290 nan 8.250 nan 0.000 0.439 382 F N 0.992 120.717 119.950 -0.375 0.000 2.091 382 F HA -0.237 4.292 4.527 0.004 0.000 0.299 382 F C 1.650 177.261 175.800 -0.315 0.000 1.103 382 F CA 1.552 59.269 58.000 -0.472 0.000 1.228 382 F CB -0.378 37.952 39.000 -1.117 0.000 0.984 382 F HN -0.008 nan 8.300 nan 0.000 0.477 383 F N 0.240 120.003 119.950 -0.311 0.000 2.134 383 F HA -0.165 4.364 4.527 0.003 0.000 0.299 383 F C 2.492 178.095 175.800 -0.327 0.000 1.097 383 F CA 1.330 59.117 58.000 -0.356 0.000 1.264 383 F CB -1.479 37.355 39.000 -0.276 0.000 1.001 383 F HN -0.167 nan 8.300 nan 0.000 0.479 384 V N -0.067 119.790 119.914 -0.095 0.000 2.287 384 V HA -0.299 3.823 4.120 0.004 0.000 0.248 384 V C 2.151 178.162 176.094 -0.137 0.000 1.053 384 V CA 2.075 64.292 62.300 -0.138 0.000 1.027 384 V CB -0.687 30.968 31.823 -0.279 0.000 0.646 384 V HN 0.293 nan 8.190 nan 0.000 0.447 385 E N -0.461 119.635 120.200 -0.174 0.000 2.209 385 E HA -0.221 4.132 4.350 0.004 0.000 0.196 385 E C 2.178 178.651 176.600 -0.212 0.000 0.993 385 E CA 0.881 57.180 56.400 -0.168 0.000 0.819 385 E CB -0.096 29.509 29.700 -0.159 0.000 0.745 385 E HN 0.538 nan 8.360 nan 0.000 0.477 386 Q N -0.762 118.852 119.800 -0.310 0.000 2.472 386 Q HA 0.033 4.375 4.340 0.004 0.000 0.208 386 Q C 1.042 176.963 176.000 -0.131 0.000 0.958 386 Q CA 0.854 56.505 55.803 -0.253 0.000 0.932 386 Q CB 0.795 29.341 28.738 -0.320 0.000 1.007 386 Q HN 0.394 nan 8.270 nan 0.000 0.508 387 G N 0.817 109.552 108.800 -0.109 0.000 2.182 387 G HA2 -0.229 3.733 3.960 0.004 0.000 0.248 387 G HA3 -0.229 3.733 3.960 0.004 0.000 0.248 387 G C 0.108 174.973 174.900 -0.059 0.000 1.042 387 G CA 0.401 45.458 45.100 -0.072 0.000 0.775 387 G HN 0.365 nan 8.290 nan 0.000 0.501 388 V N -4.138 115.740 119.914 -0.060 0.000 2.962 388 V HA 0.875 4.997 4.120 0.004 0.000 0.313 388 V C -0.142 175.946 176.094 -0.011 0.000 1.099 388 V CA -1.664 60.600 62.300 -0.060 0.000 0.971 388 V CB 2.235 33.980 31.823 -0.131 0.000 1.028 388 V HN 0.713 nan 8.190 nan 0.000 0.430 389 W N 5.170 126.328 121.300 -0.237 0.000 2.318 389 W HA 0.790 5.453 4.660 0.004 0.000 0.315 389 W C -1.940 174.380 176.519 -0.332 0.000 1.033 389 W CA -0.833 56.354 57.345 -0.264 0.000 1.275 389 W CB 1.478 30.797 29.460 -0.235 0.000 1.250 389 W HN 0.645 nan 8.180 nan 0.000 0.421 390 I N 5.495 125.483 120.570 -0.971 0.000 2.569 390 I HA 0.368 4.540 4.170 0.004 0.000 0.290 390 I C -0.272 175.206 176.117 -1.066 0.000 1.088 390 I CA -0.760 59.920 61.300 -1.033 0.000 1.047 390 I CB 2.159 39.371 38.000 -1.313 0.000 1.237 390 I HN 0.464 nan 8.210 nan 0.000 0.421 391 A N 8.036 130.335 122.820 -0.869 0.000 2.508 391 A HA 0.693 5.015 4.320 0.004 0.000 0.336 391 A C -2.593 174.868 177.584 -0.205 0.000 1.360 391 A CA -1.374 50.324 52.037 -0.565 0.000 0.841 391 A CB -0.110 18.605 19.000 -0.475 0.000 1.136 391 A HN 0.348 nan 8.150 nan 0.000 0.489 392 P HA 0.638 nan 4.420 nan 0.000 0.279 392 P C -0.930 176.540 177.300 0.282 0.000 1.252 392 P CA -0.218 62.937 63.100 0.091 0.000 0.811 392 P CB 0.854 32.599 31.700 0.074 0.000 1.035 393 F N -1.764 118.272 119.950 0.143 0.000 2.596 393 F HA 0.630 5.160 4.527 0.004 0.000 0.311 393 F C 0.639 176.492 175.800 0.088 0.000 1.116 393 F CA 0.028 58.094 58.000 0.110 0.000 0.957 393 F CB 1.088 40.157 39.000 0.115 0.000 1.250 393 F HN 0.729 nan 8.300 nan 0.000 0.444 394 G N 3.824 112.661 108.800 0.061 0.000 2.686 394 G HA2 -0.367 3.596 3.960 0.004 0.000 0.329 394 G HA3 -0.367 3.596 3.960 0.004 0.000 0.329 394 G C 0.510 175.392 174.900 -0.029 0.000 1.187 394 G CA 0.753 45.845 45.100 -0.015 0.000 0.965 394 G HN 0.880 nan 8.290 nan 0.000 0.549 395 K N 0.199 120.542 120.400 -0.096 0.000 2.478 395 K HA 0.474 4.796 4.320 0.004 0.000 0.205 395 K C -0.060 176.505 176.600 -0.059 0.000 1.033 395 K CA -0.177 56.106 56.287 -0.005 0.000 1.091 395 K CB 0.539 33.042 32.500 0.006 0.000 0.844 395 K HN 0.314 nan 8.250 nan 0.000 0.507 396 L N 1.895 122.996 121.223 -0.203 0.000 2.298 396 L HA 0.495 4.838 4.340 0.004 0.000 0.284 396 L C -0.436 176.435 176.870 0.002 0.000 1.013 396 L CA -0.658 54.065 54.840 -0.195 0.000 0.824 396 L CB 1.410 43.129 42.059 -0.566 0.000 1.221 396 L HN -0.020 nan 8.230 nan 0.000 0.418 397 I N 4.682 125.307 120.570 0.091 0.000 2.359 397 I HA 0.307 4.479 4.170 0.004 0.000 0.284 397 I C -0.804 175.377 176.117 0.108 0.000 1.018 397 I CA -0.597 60.760 61.300 0.095 0.000 1.173 397 I CB 0.687 38.772 38.000 0.142 0.000 1.326 397 I HN 0.486 nan 8.210 nan 0.000 0.462 398 Y N 5.643 125.895 120.300 -0.080 0.000 2.605 398 Y HA 0.841 5.393 4.550 0.003 0.000 0.343 398 Y C -1.679 174.139 175.900 -0.137 0.000 1.036 398 Y CA -1.646 56.401 58.100 -0.088 0.000 1.065 398 Y CB 1.259 39.680 38.460 -0.065 0.000 1.288 398 Y HN 0.215 nan 8.280 nan 0.000 0.481 399 L N 4.216 125.404 121.223 -0.060 0.000 2.356 399 L HA 0.564 4.907 4.340 0.004 0.000 0.277 399 L C -0.588 176.267 176.870 -0.025 0.000 0.996 399 L CA -1.066 53.693 54.840 -0.136 0.000 0.822 399 L CB 1.913 43.916 42.059 -0.094 0.000 1.256 399 L HN 0.896 nan 8.230 nan 0.000 0.413 400 M N 2.413 121.964 119.600 -0.083 0.000 2.353 400 M HA 0.437 4.919 4.480 0.004 0.000 0.218 400 M C -2.934 173.364 176.300 -0.004 0.000 1.044 400 M CA -1.504 53.775 55.300 -0.036 0.000 0.615 400 M CB 1.084 33.577 32.600 -0.178 0.000 1.531 400 M HN 0.102 nan 8.290 nan 0.000 0.378 401 P HA 0.523 nan 4.420 nan 0.000 0.278 401 P C -2.771 174.580 177.300 0.086 0.000 1.258 401 P CA -1.330 61.796 63.100 0.043 0.000 0.811 401 P CB 0.032 31.757 31.700 0.042 0.000 1.063 402 P HA 0.001 nan 4.420 nan 0.000 0.267 402 P C 0.675 178.076 177.300 0.169 0.000 1.200 402 P CA 0.349 63.442 63.100 -0.012 0.000 0.772 402 P CB -0.138 31.538 31.700 -0.039 0.000 0.855 403 Y N 1.889 122.208 120.300 0.033 0.000 2.403 403 Y HA -0.078 4.474 4.550 0.004 0.000 0.291 403 Y C 1.807 177.763 175.900 0.093 0.000 1.143 403 Y CA 0.723 58.870 58.100 0.080 0.000 1.257 403 Y CB -1.308 37.219 38.460 0.112 0.000 0.984 403 Y HN 0.325 nan 8.280 nan 0.000 0.550 404 I N -2.387 118.326 120.570 0.239 0.000 3.812 404 I HA 0.178 4.350 4.170 0.004 0.000 0.320 404 I C 0.794 176.987 176.117 0.126 0.000 1.276 404 I CA -0.189 61.218 61.300 0.178 0.000 1.164 404 I CB -0.258 37.847 38.000 0.174 0.000 1.009 404 I HN -0.111 nan 8.210 nan 0.000 0.431 405 I N 2.570 123.212 120.570 0.121 0.000 2.775 405 I HA 0.008 4.180 4.170 0.004 0.000 0.290 405 I C 0.034 176.194 176.117 0.071 0.000 1.203 405 I CA 0.130 61.482 61.300 0.087 0.000 1.433 405 I CB 0.547 38.595 38.000 0.079 0.000 1.354 405 I HN 0.175 nan 8.210 nan 0.000 0.579 406 L N 9.160 130.415 121.223 0.054 0.000 2.371 406 L HA 0.232 4.574 4.340 0.004 0.000 0.272 406 L C -1.488 175.403 176.870 0.034 0.000 1.124 406 L CA -1.439 53.427 54.840 0.042 0.000 0.816 406 L CB 0.396 42.475 42.059 0.033 0.000 1.129 406 L HN 0.523 nan 8.230 nan 0.000 0.448 407 P HA -0.236 nan 4.420 nan 0.000 0.217 407 P C 1.225 178.536 177.300 0.019 0.000 1.148 407 P CA 0.980 64.094 63.100 0.024 0.000 0.834 407 P CB 0.121 31.834 31.700 0.021 0.000 0.783 408 Q N -0.086 119.725 119.800 0.018 0.000 2.119 408 Q HA -0.205 4.137 4.340 0.004 0.000 0.201 408 Q C 2.077 178.083 176.000 0.011 0.000 0.972 408 Q CA 1.673 57.484 55.803 0.013 0.000 0.847 408 Q CB -0.318 28.427 28.738 0.012 0.000 0.903 408 Q HN 0.372 nan 8.270 nan 0.000 0.433 409 Q N -0.028 119.781 119.800 0.014 0.000 2.119 409 Q HA -0.141 4.201 4.340 0.004 0.000 0.201 409 Q C 2.118 178.121 176.000 0.005 0.000 0.972 409 Q CA 1.098 56.907 55.803 0.010 0.000 0.847 409 Q CB -0.052 28.698 28.738 0.020 0.000 0.903 409 Q HN 0.221 nan 8.270 nan 0.000 0.433 410 L N 0.877 122.107 121.223 0.012 0.000 2.093 410 L HA -0.175 4.168 4.340 0.004 0.000 0.208 410 L C 2.240 179.111 176.870 0.002 0.000 1.085 410 L CA 1.790 56.634 54.840 0.007 0.000 0.755 410 L CB -0.534 41.537 42.059 0.019 0.000 0.904 410 L HN 0.180 nan 8.230 nan 0.000 0.435 411 Q N -0.683 119.122 119.800 0.008 0.000 2.135 411 Q HA -0.276 4.067 4.340 0.004 0.000 0.204 411 Q C 2.442 178.446 176.000 0.008 0.000 0.981 411 Q CA 1.914 57.723 55.803 0.011 0.000 0.856 411 Q CB -0.118 28.628 28.738 0.013 0.000 0.902 411 Q HN 0.479 nan 8.270 nan 0.000 0.425 412 R N -0.156 120.345 120.500 0.001 0.000 2.081 412 R HA -0.151 4.191 4.340 0.004 0.000 0.235 412 R C 2.188 178.478 176.300 -0.016 0.000 1.131 412 R CA 1.331 57.428 56.100 -0.005 0.000 0.960 412 R CB -0.212 30.079 30.300 -0.015 0.000 0.856 412 R HN 0.285 nan 8.270 nan 0.000 0.436 413 L N 0.123 121.324 121.223 -0.037 0.000 1.994 413 L HA -0.192 4.151 4.340 0.004 0.000 0.208 413 L C 2.733 179.574 176.870 -0.048 0.000 1.071 413 L CA 2.063 56.855 54.840 -0.080 0.000 0.745 413 L CB -0.889 41.110 42.059 -0.101 0.000 0.892 413 L HN 0.440 nan 8.230 nan 0.000 0.431 414 T N -2.199 112.345 114.554 -0.017 0.000 2.759 414 T HA -0.202 4.150 4.350 0.004 0.000 0.269 414 T C 1.918 176.646 174.700 0.047 0.000 1.042 414 T CA 1.089 63.196 62.100 0.011 0.000 1.140 414 T CB -0.547 68.330 68.868 0.015 0.000 0.864 414 T HN 0.339 nan 8.240 nan 0.000 0.455 415 A N 1.816 124.665 122.820 0.049 0.000 1.930 415 A HA 0.374 4.697 4.320 0.004 0.000 0.217 415 A C 2.798 180.466 177.584 0.139 0.000 1.175 415 A CA 1.733 53.817 52.037 0.079 0.000 0.627 415 A CB -1.287 17.749 19.000 0.060 0.000 0.815 415 A HN 0.747 nan 8.150 nan 0.000 0.443 416 A N -0.642 122.266 122.820 0.147 0.000 1.930 416 A HA 0.071 4.393 4.320 0.004 0.000 0.217 416 A C 2.206 180.079 177.584 0.483 0.000 1.175 416 A CA 1.618 53.834 52.037 0.298 0.000 0.627 416 A CB -0.752 18.377 19.000 0.215 0.000 0.815 416 A HN 0.337 nan 8.150 nan 0.000 0.443 417 V N 0.941 121.029 119.914 0.290 0.000 2.307 417 V HA -0.246 3.876 4.120 0.004 0.000 0.245 417 V C 2.336 178.576 176.094 0.243 0.000 1.045 417 V CA 1.993 64.468 62.300 0.291 0.000 1.024 417 V CB -0.917 30.970 31.823 0.106 0.000 0.651 417 V HN 0.559 nan 8.190 nan 0.000 0.449 418 N N 0.223 119.025 118.700 0.170 0.000 2.061 418 N HA -0.232 4.511 4.740 0.004 0.000 0.193 418 N C 2.062 177.661 175.510 0.148 0.000 1.030 418 N CA 1.811 54.940 53.050 0.131 0.000 0.856 418 N CB -0.320 38.225 38.487 0.097 0.000 1.023 418 N HN 0.415 nan 8.380 nan 0.000 0.424 419 R N 0.774 121.395 120.500 0.200 0.000 2.115 419 R HA 0.013 4.356 4.340 0.004 0.000 0.230 419 R C 2.027 178.409 176.300 0.137 0.000 1.111 419 R CA 1.117 57.342 56.100 0.209 0.000 0.976 419 R CB -0.066 30.438 30.300 0.341 0.000 0.870 419 R HN 0.159 nan 8.270 nan 0.000 0.445 420 A N 0.316 123.239 122.820 0.172 0.000 1.969 420 A HA -0.078 4.244 4.320 0.004 0.000 0.218 420 A C 1.958 179.658 177.584 0.194 0.000 1.169 420 A CA 1.395 53.433 52.037 0.001 0.000 0.635 420 A CB -0.224 18.781 19.000 0.008 0.000 0.810 420 A HN 0.310 nan 8.150 nan 0.000 0.445 421 V N -1.277 118.761 119.914 0.208 0.000 3.649 421 V HA -0.054 4.069 4.120 0.004 0.000 0.275 421 V C 1.866 177.994 176.094 0.057 0.000 1.281 421 V CA 1.087 63.510 62.300 0.206 0.000 1.143 421 V CB -0.872 31.036 31.823 0.143 0.000 0.892 421 V HN 0.755 nan 8.190 nan 0.000 0.441 422 Q N 2.168 121.992 119.800 0.041 0.000 2.369 422 Q HA -0.016 4.326 4.340 0.004 0.000 0.206 422 Q C 0.412 176.380 176.000 -0.053 0.000 0.963 422 Q CA 1.402 57.199 55.803 -0.010 0.000 0.894 422 Q CB -0.156 28.585 28.738 0.005 0.000 0.965 422 Q HN 0.876 nan 8.270 nan 0.000 0.475 423 D N -1.387 118.975 120.400 -0.063 0.000 2.643 423 D HA 0.053 4.695 4.640 0.004 0.000 0.283 423 D C -0.493 175.775 176.300 -0.053 0.000 1.242 423 D CA -0.773 53.167 54.000 -0.100 0.000 0.863 423 D CB 0.476 41.200 40.800 -0.127 0.000 1.382 423 D HN 0.009 nan 8.370 nan 0.000 0.444 424 E N -0.897 119.268 120.200 -0.058 0.000 2.502 424 E HA -0.005 4.347 4.350 0.004 0.000 0.194 424 E C 0.662 177.310 176.600 0.080 0.000 1.062 424 E CA 0.408 56.855 56.400 0.078 0.000 0.867 424 E CB -0.111 29.600 29.700 0.018 0.000 0.888 424 E HN 0.497 nan 8.360 nan 0.000 0.510 425 T N 0.577 115.012 114.554 -0.199 0.000 2.620 425 T HA -0.222 4.131 4.350 0.004 0.000 0.267 425 T C 0.758 175.221 174.700 -0.396 0.000 1.044 425 T CA 1.383 63.206 62.100 -0.462 0.000 1.161 425 T CB -0.292 67.959 68.868 -1.029 0.000 0.862 425 T HN 0.230 nan 8.240 nan 0.000 0.438 426 F N 0.354 120.223 119.950 -0.136 0.000 2.660 426 F HA 0.463 4.992 4.527 0.003 0.000 0.297 426 F C -0.050 175.362 175.800 -0.647 0.000 1.132 426 F CA -1.565 56.188 58.000 -0.412 0.000 1.372 426 F CB -0.806 37.818 39.000 -0.627 0.000 1.003 426 F HN 0.030 nan 8.300 nan 0.000 0.524 427 F N -1.725 118.255 119.950 0.050 0.000 2.556 427 F HA 0.607 5.137 4.527 0.004 0.000 0.327 427 F C 0.692 176.527 175.800 0.058 0.000 1.059 427 F CA -1.135 56.906 58.000 0.067 0.000 0.953 427 F CB 1.193 40.237 39.000 0.072 0.000 1.227 427 F HN -0.083 nan 8.300 nan 0.000 0.478 428 C N 0.000 119.442 119.300 0.236 0.000 2.653 428 C HA 0.000 4.462 4.460 0.004 0.000 0.325 428 C CA 0.000 59.087 59.018 0.114 0.000 1.963 428 C CB 0.000 27.786 27.740 0.077 0.000 2.134 428 C HN 0.000 nan 8.230 nan 0.000 0.568